2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole

C85H77N9O3S2 — CID 158705459

IUPAC2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole
SMILESc1ccc(Cc2ccccn2)cc1.c1ccc(Cc2ccco2)cc1.c1ccc(Cc2ccno2)cc1.c1ccc(Cc2cnccn2)cc1.c1ccc(Cc2cncs2)cc1.c1ccc(Cc2ncccn2)cc1.c1ccc(Cc2ncco2)cc1.c1ccc(Cc2nccs2)cc1
InChIInChI=1S/C12H11N.2C11H10N2.C11H10O.2C10H9NO.2C10H9NS/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-5-10(6-3-1)9-11-12-7-4-8-13-11;1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;1-2-5-10(6-3-1)9-11-7-4-8-12-11;1-2-4-9(5-3-1)8-10-11-6-7-12-10;1-2-4-9(5-3-1)8-10-6-7-11-12-10;1-2-4-9(5-3-1)6-10-7-11-8-12-10;1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-9H,10H2;1-8H,9H2;1-7,9H,8H2;1-8H,9H2;2*1-7H,8H2;1-5,7-8H,6H2;1-7H,8H2
InChIKeyIIBBZZHGCRQZMG-UHFFFAOYSA-N
MW1336.75 g/mol
LogP19.68
Rot. Bonds16

About 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole

2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole (PubChem CID 158705459) has the molecular formula C85H77N9O3S2 and a molecular weight of 1336.75 g/mol. Its IUPAC name is 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole.

Molecular Properties

Compound Name2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole
PubChem CID158705459
Molecular FormulaC85H77N9O3S2
Molecular Weight1336.75 g/mol
Exact Mass1335.56
IUPAC Name2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole
SMILESc1ccc(Cc2ccccn2)cc1.c1ccc(Cc2ccco2)cc1.c1ccc(Cc2ccno2)cc1.c1ccc(Cc2cnccn2)cc1.c1ccc(Cc2cncs2)cc1.c1ccc(Cc2ncccn2)cc1.c1ccc(Cc2ncco2)cc1.c1ccc(Cc2nccs2)cc1
InChIInChI=1S/C12H11N.2C11H10N2.C11H10O.2C10H9NO.2C10H9NS/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-5-10(6-3-1)9-11-12-7-4-8-13-11;1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;1-2-5-10(6-3-1)9-11-7-4-8-12-11;1-2-4-9(5-3-1)8-10-11-6-7-12-10;1-2-4-9(5-3-1)8-10-6-7-11-12-10;1-2-4-9(5-3-1)6-10-7-11-8-12-10;1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-9H,10H2;1-8H,9H2;1-7,9H,8H2;1-8H,9H2;2*1-7H,8H2;1-5,7-8H,6H2;1-7H,8H2
InChIKeyIIBBZZHGCRQZMG-UHFFFAOYSA-N
XLogP19.68
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001336.75
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

CID 157902277
CID 157902277
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857
8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(1,2-oxazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159084449
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-thiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-(4-fluorophenyl)-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;3-phenyl-2-propan-2-ylfuran;1-phenyl-2-propan-2-ylimidazole;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;3-phenyl-4-propan-2-yl-2H-pyrrole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-1-propan-2-yl-1,2,4-triazole;(2-propan-2-ylcyclopenta-1,4-dien-1-yl)benzene;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 160240744
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;5-tert-butyl-1,3-oxazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine
CID 160376362
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
2-Amino-5-[4-fluoro-3-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(furan-3-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-(4-fluoro-3-thiophen-3-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 160685595
1-Benzyl-4-propan-2-ylpyrazole;4-tert-butyl-1-ethyltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole);4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 160818881
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836

Frequently Asked Questions

What is the IUPAC name of 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole?
The IUPAC name of 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole (CID 158705459) is 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole.
What is the SMILES notation for 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole?
The canonical SMILES for 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole is c1ccc(Cc2ccccn2)cc1.c1ccc(Cc2ccco2)cc1.c1ccc(Cc2ccno2)cc1.c1ccc(Cc2cnccn2)cc1.c1ccc(Cc2cncs2)cc1.c1ccc(Cc2ncccn2)cc1.c1ccc(Cc2ncco2)cc1.c1ccc(Cc2nccs2)cc1.
What is the InChIKey of 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole?
The InChIKey is IIBBZZHGCRQZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.2C11H10N2.C11H10O.2C10H9NO.2C10H9NS/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-5-10(6-3-1)9-11-12-7-4-8-13-11;1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;1-2-5-10(6-3-1)9-11-7-4-8-12-11;1-2-4-9(5-3-1)8-10-11-6-7-12-10;1-2-4-9(5-3-1)8-10-6-7-11-12-10;1-2-4-9(5-3-1)6-10-7-11-8-12-10;1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-9H,10H2;1-8H,9H2;1-7,9H,8H2;1-8H,9H2;2*1-7H,8H2;1-5,7-8H,6H2;1-7H,8H2.
What are the key properties of 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole?
2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole has a molecular weight of 1336.75 g/mol, XLogP of 19.68, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylfuran;2-benzyl-1,3-oxazole;5-benzyl-1,2-oxazole;2-benzylpyrazine;2-benzylpyridine;2-benzylpyrimidine;2-benzyl-1,3-thiazole;5-benzyl-1,3-thiazole is sourced from PubChem (CID 158705459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).