4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide

C15H17FN4O2 — CID 53146606

IUPAC4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESNc1cc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C15H17FN4O2/c16-11-1-3-12(4-2-11)18-15(21)20-7-5-10(6-8-20)13-9-14(17)22-19-13/h1-4,9-10H,5-8,17H2,(H,18,21)
InChIKeyCDLXBRJAOGQLNR-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.81
Rot. Bonds2

About 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide

4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 53146606) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID53146606
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESNc1cc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C15H17FN4O2/c16-11-1-3-12(4-2-11)18-15(21)20-7-5-10(6-8-20)13-9-14(17)22-19-13/h1-4,9-10H,5-8,17H2,(H,18,21)
InChIKeyCDLXBRJAOGQLNR-UHFFFAOYSA-N
XLogP2.81
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10590075, Example 20
CID 129285400
US10590075, Example 21
CID 129301747
1-Cyano-N-(3-phenylisoxazol-5-yl)piperidine-3-carboxamide
CID 141758394
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3234036
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3235333
1-(3-Tert-butyl-1,2-oxazol-5-yl)-3-(4-fluorophenyl)urea
CID 44304669
3-[1-(4-Fluorobenzoyl)piperidin-4-YL]-1,2-oxazol-5-amine
CID 53014095
3-[1-(4-Methylbenzoyl)piperidin-4-YL]-1,2-oxazol-5-amine
CID 53014101
1-Piperidineacetamide, N-(3-phenyl-5-isoxazolyl)-, monohydrochloride
CID 216916
1-Piperazinepropanamide, 4-methyl-N-(3-phenyl-5-isoxazolyl)-
CID 3070613
2-Methyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(piperidin-1-yl)propanamide
CID 3070615
1-Piperidinepropanamide, beta-methyl-N-(3-phenyl-5-isoxazolyl)-
CID 3070618

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 53146606) is 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide is Nc1cc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)no1.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is CDLXBRJAOGQLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-11-1-3-12(4-2-11)18-15(21)20-7-5-10(6-8-20)13-9-14(17)22-19-13/h1-4,9-10H,5-8,17H2,(H,18,21).
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-3-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53146606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).