[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone

C20H22FN3O2S — CID 71706641

IUPAC[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1nc(C)sc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H22FN3O2S/c1-3-4-16-19(27-12(2)22-16)20(25)24-9-7-13(8-10-24)18-15-6-5-14(21)11-17(15)26-23-18/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyCAMJMBBDVPYCSS-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.70
Rot. Bonds4

About [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone

[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone (PubChem CID 71706641) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone
PubChem CID71706641
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1nc(C)sc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H22FN3O2S/c1-3-4-16-19(27-12(2)22-16)20(25)24-9-7-13(8-10-24)18-15-6-5-14(21)11-17(15)26-23-18/h5-6,11,13H,3-4,7-10H2,1-2H3
InChIKeyCAMJMBBDVPYCSS-UHFFFAOYSA-N
XLogP4.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

N-1,2-Benzisoxazol-3-yl-4-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 68780004
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71571565
5-Fluoro-3-(1-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl}-4-piperidinyl)-1,2-benzisoxazole
CID 984852
1-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone
CID 2241612
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(2-propyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 89612908
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-(5-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
CID 89626930
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 89626946
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 89626969
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 117728500
4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-tert-butylphenyl)-1,3-thiazole-5-carboxamide
CID 23644834
1-(4-(5-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-2-(quinolin-2-ylthio)ethanone
CID 984844
2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-(5-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethanone
CID 1179317

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone (CID 71706641) is [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone is CCCc1nc(C)sc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone?
The InChIKey is CAMJMBBDVPYCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-3-4-16-19(27-12(2)22-16)20(25)24-9-7-13(8-10-24)18-15-6-5-14(21)11-17(15)26-23-18/h5-6,11,13H,3-4,7-10H2,1-2H3.
What are the key properties of [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone?
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone has a molecular weight of 387.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-(2-methyl-4-propyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 71706641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).