3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C20H16F2N4OS — CID 25371523

IUPAC3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2noc3c2CN(Cc2cccn2-c2nccs2)CC3)cc1F
InChIInChI=1S/C20H16F2N4OS/c21-16-4-3-13(10-17(16)22)19-15-12-25(8-5-18(15)27-24-19)11-14-2-1-7-26(14)20-23-6-9-28-20/h1-4,6-7,9-10H,5,8,11-12H2
InChIKeyZDWPKYFEFDAYJB-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.43
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 25371523) has the molecular formula C20H16F2N4OS and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID25371523
Molecular FormulaC20H16F2N4OS
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2noc3c2CN(Cc2cccn2-c2nccs2)CC3)cc1F
InChIInChI=1S/C20H16F2N4OS/c21-16-4-3-13(10-17(16)22)19-15-12-25(8-5-18(15)27-24-19)11-14-2-1-7-26(14)20-23-6-9-28-20/h1-4,6-7,9-10H,5,8,11-12H2
InChIKeyZDWPKYFEFDAYJB-UHFFFAOYSA-N
XLogP4.43
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 56677054
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 51002829
5-methyl-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 2648564
3-[1-[2-(3,6-Dimethylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 44213417
Preparation of N-(4-(3,5-dimethylisoxazol-4-yl)phenyl)-4-methyl-1-((2-(piperidin-1-yl)thiazol-4-yl)methyl)-1H-pyrrole-2-carboxamide
CID 142463661
3-(2-fluorophenyl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 31015966
3,5-Dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole
CID 44589222
3-(3,4-Difluorophenyl)-5-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25366776
3-(2-fluorophenyl)-5-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 28100947
3-(3-fluorophenyl)-5-{[1-(2-pyridinyl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 29185416
3-(3-Fluorophenyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 42196706
Sdccgsbi-0117501.P001
CID 42458038

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 25371523) is 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1ccc(-c2noc3c2CN(Cc2cccn2-c2nccs2)CC3)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is ZDWPKYFEFDAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4OS/c21-16-4-3-13(10-17(16)22)19-15-12-25(8-5-18(15)27-24-19)11-14-2-1-7-26(14)20-23-6-9-28-20/h1-4,6-7,9-10H,5,8,11-12H2.
What are the key properties of 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 398.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 25371523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).