[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

C19H15FN4O2S — CID 42196706

IUPAC[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C19H15FN4O2S/c1-11-17(24-7-8-27-19(24)21-11)18(25)23-6-5-15-14(10-23)16(22-26-15)12-3-2-4-13(20)9-12/h2-4,7-9H,5-6,10H2,1H3
InChIKeyHECYRFDLUKCMMQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.70
Rot. Bonds2

About [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (PubChem CID 42196706) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
PubChem CID42196706
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1nc2sccn2c1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C19H15FN4O2S/c1-11-17(24-7-8-27-19(24)21-11)18(25)23-6-5-15-14(10-23)16(22-26-15)12-3-2-4-13(20)9-12/h2-4,7-9H,5-6,10H2,1H3
InChIKeyHECYRFDLUKCMMQ-UHFFFAOYSA-N
XLogP3.70
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone with MolForge

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Related Compounds

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
6-(4-fluorophenyl)-N-(5-methylisoxazol-3-yl)imidazo[2,1-b]thiazole-3-carboxamide
CID 42269977
N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42596715
N-[1-(3-isoxazolyl)ethyl]-N-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45216300
6-{[2-(5-Isopropyl-3-isoxazolyl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 70732824
1-[4-[5-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperazin-1-yl]ethanone
CID 134799999
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
6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290508
Sdccgsbi-0117501.P001
CID 42458038
6-(3-fluorophenyl)-N-(3-isoxazolylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42514244

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (CID 42196706) is [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is Cc1nc2sccn2c1C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1.
What is the InChIKey of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The InChIKey is HECYRFDLUKCMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-11-17(24-7-8-27-19(24)21-11)18(25)23-6-5-15-14(10-23)16(22-26-15)12-3-2-4-13(20)9-12/h2-4,7-9H,5-6,10H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone has a molecular weight of 382.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 42196706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).