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

C19H22N4O2 — CID 95150313

IUPAC3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C19H22N4O2/c1-5-17-18(14(4)25-22-17)19(24)21-12(2)16-11-20-23(13(16)3)15-9-7-6-8-10-15/h6-12H,5H2,1-4H3,(H,21,24)/t12-/m1/s1
InChIKeyWMISGIADOVKJAK-GFCCVEGCSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds5

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

3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 95150313) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID95150313
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C19H22N4O2/c1-5-17-18(14(4)25-22-17)19(24)21-12(2)16-11-20-23(13(16)3)15-9-7-6-8-10-15/h6-12H,5H2,1-4H3,(H,21,24)/t12-/m1/s1
InChIKeyWMISGIADOVKJAK-GFCCVEGCSA-N
XLogP3.53
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
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N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
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3-ethyl-5-methyl-N-[(1R)-1-[(1R,2R)-2-phenylcyclopropyl]ethyl]-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 95150313) is 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is WMISGIADOVKJAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-17-18(14(4)25-22-17)19(24)21-12(2)16-11-20-23(13(16)3)15-9-7-6-8-10-15/h6-12H,5H2,1-4H3,(H,21,24)/t12-/m1/s1.
What are the key properties of 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95150313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).