N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C15H18N2O3 — CID 4518585

IUPACN-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C15H18N2O3/c1-4-10(2)16-15(18)13-9-14(20-17-13)11-6-5-7-12(8-11)19-3/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyIUMLXTKGMWZGHA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.88
Rot. Bonds5

About N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 4518585) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID4518585
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C15H18N2O3/c1-4-10(2)16-15(18)13-9-14(20-17-13)11-6-5-7-12(8-11)19-3/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyIUMLXTKGMWZGHA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-(4S,6S)-8-Methyl-6-((S)-3-methyl-2-((S)-2-((5-methyl-isoxazole-3-carbonyl)-amino)-propionylamino)-butyrylamino)-5-oxo-4-((R)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid benzyl ester
CID 6323191
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 4518585) is N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is CCC(C)NC(=O)c1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IUMLXTKGMWZGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-10(2)16-15(18)13-9-14(20-17-13)11-6-5-7-12(8-11)19-3/h5-10H,4H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4518585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).