1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole

C66H66ClN9O2S3 — CID 161464310

IUPAC1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccccc1Cl.Cc1cnc(-c2ccccc2)o1.Cc1cnc(-c2ccccc2)s1.Cc1cnco1.Cc1cncs1.Cc1ncc(-c2ccccc2)[nH]1.Cc1ncc(-c2ccccc2)n1C.Cc1ncc(-c2ccccc2)s1
InChIInChI=1S/C11H12N2.C10H10N2.C10H9NO.2C10H9NS.C7H7Cl.C4H5NO.C4H5NS/c1-9-12-8-11(13(9)2)10-6-4-3-5-7-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-6-4-2-3-5-7(6)8;2*1-4-2-5-3-6-4/h3-8H,1-2H3;2-7H,1H3,(H,11,12);3*2-7H,1H3;2-5H,1H3;2*2-3H,1H3
InChIKeyWCFLAPJXVCVXQP-UHFFFAOYSA-N
MW1148.97 g/mol
LogP18.75
Rot. Bonds5

About 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole

1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 161464310) has the molecular formula C66H66ClN9O2S3 and a molecular weight of 1148.97 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID161464310
Molecular FormulaC66H66ClN9O2S3
Molecular Weight1148.97 g/mol
Exact Mass1147.42
IUPAC Name1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCc1ccccc1Cl.Cc1cnc(-c2ccccc2)o1.Cc1cnc(-c2ccccc2)s1.Cc1cnco1.Cc1cncs1.Cc1ncc(-c2ccccc2)[nH]1.Cc1ncc(-c2ccccc2)n1C.Cc1ncc(-c2ccccc2)s1
InChIInChI=1S/C11H12N2.C10H10N2.C10H9NO.2C10H9NS.C7H7Cl.C4H5NO.C4H5NS/c1-9-12-8-11(13(9)2)10-6-4-3-5-7-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-6-4-2-3-5-7(6)8;2*1-4-2-5-3-6-4/h3-8H,1-2H3;2-7H,1H3,(H,11,12);3*2-7H,1H3;2-5H,1H3;2*2-3H,1H3
InChIKeyWCFLAPJXVCVXQP-UHFFFAOYSA-N
XLogP18.75
TPSA137.23 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.97
LogP ≤ 518.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Related Compounds

CID 157362475
CID 157362475
CID 158132726
CID 158132726
acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane
CID 158439208
2-(4-chlorophenyl)-5-methyl-1H-imidazole;2-(4-chlorophenyl)-4-methyl-1,3-thiazole;2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 159941150
3-(2-benzyl-1,3-thiazol-4-yl)propanal;3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propanal;3-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]propanal;3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]propanal;3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanal;3-(2-phenyl-1H-imidazol-5-yl)propanal;3-(2-phenyl-1,3-oxazol-4-yl)propanal;3-(2-phenyl-1,3-thiazol-4-yl)propanal;3-[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]propanal
CID 160997098
CID 162043391
CID 162043391
1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-thiazole;2-methyl-1H-imidazole;2-methyl-5-phenyl-1,3-oxazole;2-methyl-1,3-thiazole;1,2,5-trimethylimidazole
CID 157585436
2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole
CID 158883057
2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole
CID 159216883
2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene;2-chloro-6-methylpyridine;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1,3-thiazole;1-ethyl-2,4,5-trimethylimidazole;2-methoxy-6-methylpyridine;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;2-phenyl-1H-imidazole
CID 159787625
5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 159871920
2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole
CID 160757455

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 161464310) is 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole is Cc1ccccc1Cl.Cc1cnc(-c2ccccc2)o1.Cc1cnc(-c2ccccc2)s1.Cc1cnco1.Cc1cncs1.Cc1ncc(-c2ccccc2)[nH]1.Cc1ncc(-c2ccccc2)n1C.Cc1ncc(-c2ccccc2)s1.
What is the InChIKey of 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is WCFLAPJXVCVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C10H10N2.C10H9NO.2C10H9NS.C7H7Cl.C4H5NO.C4H5NS/c1-9-12-8-11(13(9)2)10-6-4-3-5-7-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-6-4-2-3-5-7(6)8;2*1-4-2-5-3-6-4/h3-8H,1-2H3;2-7H,1H3,(H,11,12);3*2-7H,1H3;2-5H,1H3;2*2-3H,1H3.
What are the key properties of 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole?
1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1148.97 g/mol, XLogP of 18.75, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;1,2-dimethyl-5-phenylimidazole;5-methyl-1,3-oxazole;2-methyl-5-phenyl-1H-imidazole;5-methyl-2-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 161464310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).