(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

C16H16FN3O3 — CID 51493997

IUPAC(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2ncoc2-c2cccc(F)c2)C1
InChIInChI=1S/C16H16FN3O3/c17-12-5-1-3-10(7-12)14-13(19-9-23-14)16(22)20-6-2-4-11(8-20)15(18)21/h1,3,5,7,9,11H,2,4,6,8H2,(H2,18,21)/t11-/m0/s1
InChIKeyDKAARLNFEZOCRJ-NSHDSACASA-N
MW317.32 g/mol
LogP1.82
Rot. Bonds3

About (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 51493997) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID51493997
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2ncoc2-c2cccc(F)c2)C1
InChIInChI=1S/C16H16FN3O3/c17-12-5-1-3-10(7-12)14-13(19-9-23-14)16(22)20-6-2-4-11(8-20)15(18)21/h1,3,5,7,9,11H,2,4,6,8H2,(H2,18,21)/t11-/m0/s1
InChIKeyDKAARLNFEZOCRJ-NSHDSACASA-N
XLogP1.82
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide
CID 94512779
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
CID 162628143
1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
(3S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 94176937
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494377
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (CID 51493997) is (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)c2ncoc2-c2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is DKAARLNFEZOCRJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-12-5-1-3-10(7-12)14-13(19-9-23-14)16(22)20-6-2-4-11(8-20)15(18)21/h1,3,5,7,9,11H,2,4,6,8H2,(H2,18,21)/t11-/m0/s1.
What are the key properties of (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 51493997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).