5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide

C20H18N2O3 — CID 38507620

IUPAC5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C20H18N2O3/c1-13-6-10-15(11-7-13)24-18-5-3-2-4-16(18)21-20(23)17-12-19(25-22-17)14-8-9-14/h2-7,10-12,14H,8-9H2,1H3,(H,21,23)
InChIKeyURFHMIYCXARJHT-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.91
Rot. Bonds5

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

5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 38507620) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID38507620
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cc(C3CC3)on2)cc1
InChIInChI=1S/C20H18N2O3/c1-13-6-10-15(11-7-13)24-18-5-3-2-4-16(18)21-20(23)17-12-19(25-22-17)14-8-9-14/h2-7,10-12,14H,8-9H2,1H3,(H,21,23)
InChIKeyURFHMIYCXARJHT-UHFFFAOYSA-N
XLogP4.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 38507620) is 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)c2cc(C3CC3)on2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is URFHMIYCXARJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-6-10-15(11-7-13)24-18-5-3-2-4-16(18)21-20(23)17-12-19(25-22-17)14-8-9-14/h2-7,10-12,14H,8-9H2,1H3,(H,21,23).
What are the key properties of 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 38507620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).