2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide

C17H24N4O2 — CID 53195340

IUPAC2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1nc(C2CCC2)oc1C
InChIInChI=1S/C17H24N4O2/c1-4-20(10-13-9-18-21(5-2)11-13)17(22)15-12(3)23-16(19-15)14-7-6-8-14/h9,11,14H,4-8,10H2,1-3H3
InChIKeyFPZOVXJEOLYIDV-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.13
Rot. Bonds6

About 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide

2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 53195340) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID53195340
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1nc(C2CCC2)oc1C
InChIInChI=1S/C17H24N4O2/c1-4-20(10-13-9-18-21(5-2)11-13)17(22)15-12(3)23-16(19-15)14-7-6-8-14/h9,11,14H,4-8,10H2,1-3H3
InChIKeyFPZOVXJEOLYIDV-UHFFFAOYSA-N
XLogP3.13
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71835833
(4,4-Diethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 121587122
2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutyl]-1,3-oxazole-4-carboxamide
CID 126816452
N-cyclobutyl-5-methyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 136513426
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 128989510
N,5-dimethyl-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 137989928
2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 53195339
5-Methyl-2-(propan-2-YL)-N-[3-(1H-pyrazol-1-YL)propyl]-1,3-oxazole-4-carboxamide
CID 53195256
N-Ethyl-N-[(1-ethyl-1H-pyrazol-4-YL)methyl]-5-methyl-2-(propan-2-YL)-1,3-oxazole-4-carboxamide
CID 53195258
N-[(13-Dimethyl-1H-pyrazol-4-YL)methyl]-N-ethyl-5-methyl-2-(propan-2-YL)-13-oxazole-4-carboxamide
CID 53195259
2-cyclobutyl-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 53195345
2-cyclobutyl-N~4~,5-dimethyl-N~4~-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195347

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 53195340) is 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is CCN(Cc1cnn(CC)c1)C(=O)c1nc(C2CCC2)oc1C.
What is the InChIKey of 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FPZOVXJEOLYIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-20(10-13-9-18-21(5-2)11-13)17(22)15-12(3)23-16(19-15)14-7-6-8-14/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide?
2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).