5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide

C17H20N2O2 — CID 71900193

IUPAC5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-12-4-6-13(7-5-12)11-19(2)17(20)15-10-16(21-18-15)14-8-9-14/h4-7,10,14H,3,8-9,11H2,1-2H3
InChIKeyNXCMQCOUORWHRO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds5

About 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71900193) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID71900193
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-12-4-6-13(7-5-12)11-19(2)17(20)15-10-16(21-18-15)14-8-9-14/h4-7,10,14H,3,8-9,11H2,1-2H3
InChIKeyNXCMQCOUORWHRO-UHFFFAOYSA-N
XLogP3.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 71900193) is 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(C3CC3)on2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NXCMQCOUORWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-12-4-6-13(7-5-12)11-19(2)17(20)15-10-16(21-18-15)14-8-9-14/h4-7,10,14H,3,8-9,11H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71900193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).