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

C15H18N2O3 — CID 3244327

IUPACN-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-16-15(18)13-10-14(20-17-13)11-5-7-12(19-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyKXEQQNRLLKRZND-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.88
Rot. Bonds6

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

N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3244327) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3244327
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-16-15(18)13-10-14(20-17-13)11-5-7-12(19-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyKXEQQNRLLKRZND-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
CID 16879241
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 91947614
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619681
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 39868246
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3244327) is N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is CCCCNC(=O)c1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KXEQQNRLLKRZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-9-16-15(18)13-10-14(20-17-13)11-5-7-12(19-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3244327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).