5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C15H18N2O3 — CID 3240709

IUPAC5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-10(2)9-16-15(18)13-8-14(20-17-13)11-4-6-12(19-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeySBNKOYMOIIQUCV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.74
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 3240709) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID3240709
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(C)C)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-10(2)9-16-15(18)13-8-14(20-17-13)11-4-6-12(19-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeySBNKOYMOIIQUCV-UHFFFAOYSA-N
XLogP2.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 3240709) is 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC(C)C)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SBNKOYMOIIQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)9-16-15(18)13-8-14(20-17-13)11-4-6-12(19-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,16,18).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3240709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).