N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide

C16H18F2N4O2 — CID 138034276

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1coc(-c2cccnc2)n1
InChIInChI=1S/C16H18F2N4O2/c17-14(18)9-22-6-3-12(4-7-22)20-15(23)13-10-24-16(21-13)11-2-1-5-19-8-11/h1-2,5,8,10,12,14H,3-4,6-7,9H2,(H,20,23)
InChIKeyRBGUMXPZFZCKSP-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.20
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 138034276) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID138034276
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1coc(-c2cccnc2)n1
InChIInChI=1S/C16H18F2N4O2/c17-14(18)9-22-6-3-12(4-7-22)20-15(23)13-10-24-16(21-13)11-2-1-5-19-8-11/h1-2,5,8,10,12,14H,3-4,6-7,9H2,(H,20,23)
InChIKeyRBGUMXPZFZCKSP-UHFFFAOYSA-N
XLogP2.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
CID 144895125
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595718
(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
CID 136553748
3-(2-methoxyphenyl)-3-[(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 167876097
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 167967424

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide (CID 138034276) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide is O=C(NC1CCN(CC(F)F)CC1)c1coc(-c2cccnc2)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is RBGUMXPZFZCKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c17-14(18)9-22-6-3-12(4-7-22)20-15(23)13-10-24-16(21-13)11-2-1-5-19-8-11/h1-2,5,8,10,12,14H,3-4,6-7,9H2,(H,20,23).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138034276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).