N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide

C13H17F2N3O2 — CID 167805135

IUPACN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)C1CCNCC1(F)F
InChIInChI=1S/C13H17F2N3O2/c1-7-10(11(20-18-7)8-2-3-8)17-12(19)9-4-5-16-6-13(9,14)15/h8-9,16H,2-6H2,1H3,(H,17,19)
InChIKeyHFHFQUCZPGRBGB-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.04
Rot. Bonds3

About N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide

N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide (PubChem CID 167805135) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide
PubChem CID167805135
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide
SMILESCc1noc(C2CC2)c1NC(=O)C1CCNCC1(F)F
InChIInChI=1S/C13H17F2N3O2/c1-7-10(11(20-18-7)8-2-3-8)17-12(19)9-4-5-16-6-13(9,14)15/h8-9,16H,2-6H2,1H3,(H,17,19)
InChIKeyHFHFQUCZPGRBGB-UHFFFAOYSA-N
XLogP2.04
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide (CID 167805135) is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide is Cc1noc(C2CC2)c1NC(=O)C1CCNCC1(F)F.
What is the InChIKey of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide?
The InChIKey is HFHFQUCZPGRBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-7-10(11(20-18-7)8-2-3-8)17-12(19)9-4-5-16-6-13(9,14)15/h8-9,16H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide?
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3,3-difluoropiperidine-4-carboxamide is sourced from PubChem (CID 167805135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).