N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide

C15H18N2O3 — CID 71802449

IUPACN-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(OC)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-4-5-11-6-8-12(9-7-11)16-15(18)13-10-14(19-2)17-20-13/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyZKCXSWBKJFMAPL-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.28
Rot. Bonds6

About N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide

N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802449) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802449
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(OC)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-4-5-11-6-8-12(9-7-11)16-15(18)13-10-14(19-2)17-20-13/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyZKCXSWBKJFMAPL-UHFFFAOYSA-N
XLogP3.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802449) is N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is CCCCc1ccc(NC(=O)c2cc(OC)no2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is ZKCXSWBKJFMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-5-11-6-8-12(9-7-11)16-15(18)13-10-14(19-2)17-20-13/h6-10H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).