2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole

C25H18N10O3S2 — CID 141179432

IUPAC2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole
SMILESc1c[nH]c(C2(c3cn[nH]n3)C(c3nccs3)OC(c3ccon3)(c3nccs3)C2(c2ccn[nH]2)c2ncco2)c1
InChIInChI=1S/C25H18N10O3S2/c1-2-15(26-5-1)23(18-14-31-35-33-18)19(20-27-8-12-39-20)38-25(17-4-10-37-34-17,22-29-9-13-40-22)24(23,16-3-6-30-32-16)21-28-7-11-36-21/h1-14,19,26H,(H,30,32)(H,31,33,35)
InChIKeyCOBNNFRIWIKGDC-UHFFFAOYSA-N
MW570.62 g/mol
LogP3.73
Rot. Bonds7

About 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole

2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole (PubChem CID 141179432) has the molecular formula C25H18N10O3S2 and a molecular weight of 570.62 g/mol. Its IUPAC name is 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole
PubChem CID141179432
Molecular FormulaC25H18N10O3S2
Molecular Weight570.62 g/mol
Exact Mass570.10
IUPAC Name2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole
SMILESc1c[nH]c(C2(c3cn[nH]n3)C(c3nccs3)OC(c3ccon3)(c3nccs3)C2(c2ccn[nH]2)c2ncco2)c1
InChIInChI=1S/C25H18N10O3S2/c1-2-15(26-5-1)23(18-14-31-35-33-18)19(20-27-8-12-39-20)38-25(17-4-10-37-34-17,22-29-9-13-40-22)24(23,16-3-6-30-32-16)21-28-7-11-36-21/h1-14,19,26H,(H,30,32)(H,31,33,35)
InChIKeyCOBNNFRIWIKGDC-UHFFFAOYSA-N
XLogP3.73
TPSA173.11 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[6-benzyl-6-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 140986989
2-[2-methyl-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrazolidin-1-yl]-1,3-oxazole
CID 140997550
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazolidine
CID 141026431
2-[6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-3,5-bis(1H-pyrrol-2-yl)-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 141026719
2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole
CID 141033466
3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine
CID 141042260
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
CID 141160386
3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
CID 141179562
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
CID 141351283
3,5-ditert-butyl-4,5-dihydro-1,2-oxazole;2,4-ditert-butylfuran;1,3-ditert-butylimidazolidine;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;1,3-ditert-butylpyrrole;1,3-ditert-butylpyrrolidine;1,4-ditert-butylpyrrolidin-2-one;2,4-ditert-butyl-1,3-thiazole;2,4-ditert-butyltriazole
CID 158316716
2-tert-butylfuran;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;2-tert-butylthiophene
CID 159000905
1,2-ditert-butylbenzene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;bis(4,5-ditert-butyl-1,2-oxazole);bis(4,5-ditert-butyl-1,3-oxazole);4,5-ditert-butyl-1H-pyrazole;2,3-ditert-butyl-1H-pyrrole;4,5-ditert-butyl-1,2-thiazole;4,5-ditert-butyl-1,3-thiazole;2,3-ditert-butylthiophene;ethane
CID 160387678

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole (CID 141179432) is 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole is c1c[nH]c(C2(c3cn[nH]n3)C(c3nccs3)OC(c3ccon3)(c3nccs3)C2(c2ccn[nH]2)c2ncco2)c1.
What is the InChIKey of 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole?
The InChIKey is COBNNFRIWIKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N10O3S2/c1-2-15(26-5-1)23(18-14-31-35-33-18)19(20-27-8-12-39-20)38-25(17-4-10-37-34-17,22-29-9-13-40-22)24(23,16-3-6-30-32-16)21-28-7-11-36-21/h1-14,19,26H,(H,30,32)(H,31,33,35).
What are the key properties of 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole?
2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole has a molecular weight of 570.62 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2,5-bis(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)oxolan-3-yl]-1,3-oxazole is sourced from PubChem (CID 141179432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).