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

C15H16F2N4O2 — CID 53146621

IUPAC4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide
SMILESNc1cc(C2CCN(C(=O)Nc3cc(F)ccc3F)CC2)no1
InChIInChI=1S/C15H16F2N4O2/c16-10-1-2-11(17)13(7-10)19-15(22)21-5-3-9(4-6-21)12-8-14(18)23-20-12/h1-2,7-9H,3-6,18H2,(H,19,22)
InChIKeyALTDMOQNNXHNGG-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.95
Rot. Bonds2

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

4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide (PubChem CID 53146621) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide
PubChem CID53146621
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide
SMILESNc1cc(C2CCN(C(=O)Nc3cc(F)ccc3F)CC2)no1
InChIInChI=1S/C15H16F2N4O2/c16-10-1-2-11(17)13(7-10)19-15(22)21-5-3-9(4-6-21)12-8-14(18)23-20-12/h1-2,7-9H,3-6,18H2,(H,19,22)
InChIKeyALTDMOQNNXHNGG-UHFFFAOYSA-N
XLogP2.95
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-Butyl-isoxazol-5-yl)-3-(4-trifluoromethyl-phenyl)-urea
CID 44304740
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-[4-(5-Amino-1,2-oxazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 127045191
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-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

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide (CID 53146621) is 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide is Nc1cc(C2CCN(C(=O)Nc3cc(F)ccc3F)CC2)no1.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is ALTDMOQNNXHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-10-1-2-11(17)13(7-10)19-15(22)21-5-3-9(4-6-21)12-8-14(18)23-20-12/h1-2,7-9H,3-6,18H2,(H,19,22).
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide?
4-(5-amino-1,2-oxazol-3-yl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.95, 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-(2,5-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53146621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).