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

C15H16N2O3 — CID 5309710

IUPAC5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-2-10(3-7-12)9-16-15(18)13-8-14(20-17-13)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,18)
InChIKeyMQFXKQOUJDXUIP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.49
Rot. Bonds5

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

5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 5309710) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID5309710
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-2-10(3-7-12)9-16-15(18)13-8-14(20-17-13)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,18)
InChIKeyMQFXKQOUJDXUIP-UHFFFAOYSA-N
XLogP2.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 5309710) is 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MQFXKQOUJDXUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-6-2-10(3-7-12)9-16-15(18)13-8-14(20-17-13)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,16,18).
What are the key properties of 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).