3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C22H19FN4O — CID 29185416

IUPAC3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cccc(-c2noc3c2CN(Cc2cccn2-c2ccccn2)CC3)c1
InChIInChI=1S/C22H19FN4O/c23-17-6-3-5-16(13-17)22-19-15-26(12-9-20(19)28-25-22)14-18-7-4-11-27(18)21-8-1-2-10-24-21/h1-8,10-11,13H,9,12,14-15H2
InChIKeyUBGXNYMHYPMUGH-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.22
Rot. Bonds4

About 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 29185416) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID29185416
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cccc(-c2noc3c2CN(Cc2cccn2-c2ccccn2)CC3)c1
InChIInChI=1S/C22H19FN4O/c23-17-6-3-5-16(13-17)22-19-15-26(12-9-20(19)28-25-22)14-18-7-4-11-27(18)21-8-1-2-10-24-21/h1-8,10-11,13H,9,12,14-15H2
InChIKeyUBGXNYMHYPMUGH-UHFFFAOYSA-N
XLogP4.22
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-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

N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
7-Ethyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2812530
6-Methyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2813808
3-[2,4-Bis(trifluoromethyl)phenyl]-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
CID 11670647
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-piperidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 86267517
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
N-cyclohexyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834606
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841261
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270
5-[1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine
CID 118060057
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]-3,5-dimethyl-1,2-oxazole
CID 168281528

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 29185416) is 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1cccc(-c2noc3c2CN(Cc2cccn2-c2ccccn2)CC3)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is UBGXNYMHYPMUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-17-6-3-5-16(13-17)22-19-15-26(12-9-20(19)28-25-22)14-18-7-4-11-27(18)21-8-1-2-10-24-21/h1-8,10-11,13H,9,12,14-15H2.
What are the key properties of 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 374.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 29185416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).