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

C20H21FN4OS — CID 26390624

IUPAC3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cccc(-c2noc3c2CN(Cc2cnc(N4CCCC4)s2)CC3)c1
InChIInChI=1S/C20H21FN4OS/c21-15-5-3-4-14(10-15)19-17-13-24(9-6-18(17)26-23-19)12-16-11-22-20(27-16)25-7-1-2-8-25/h3-5,10-11H,1-2,6-9,12-13H2
InChIKeyGBYQHZKKAAHQQN-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.10
Rot. Bonds4

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

3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 26390624) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID26390624
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cccc(-c2noc3c2CN(Cc2cnc(N4CCCC4)s2)CC3)c1
InChIInChI=1S/C20H21FN4OS/c21-15-5-3-4-14(10-15)19-17-13-24(9-6-18(17)26-23-19)12-16-11-22-20(27-16)25-7-1-2-8-25/h3-5,10-11H,1-2,6-9,12-13H2
InChIKeyGBYQHZKKAAHQQN-UHFFFAOYSA-N
XLogP4.10
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-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

5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2091187
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 89626969
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 51002829
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-Methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 95799410
3-(3,4-Difluorophenyl)-5-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25366776
3-(3,4-difluorophenyl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25371523
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
3-(2-Fluorophenyl)-5-(imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 42519441
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122191244
5-Fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
CID 117728764

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 26390624) is 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1cccc(-c2noc3c2CN(Cc2cnc(N4CCCC4)s2)CC3)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is GBYQHZKKAAHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c21-15-5-3-4-14(10-15)19-17-13-24(9-6-18(17)26-23-19)12-16-11-22-20(27-16)25-7-1-2-8-25/h3-5,10-11H,1-2,6-9,12-13H2.
What are the key properties of 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 384.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 26390624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).