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

C15H19N3O3 — CID 3315890

IUPAC2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1
InChIInChI=1S/C15H19N3O3/c1-3-4-12(16)15-18-13(9-21-15)14(19)17-10-5-7-11(20-2)8-6-10/h5-9,12H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyYFYMBWZAEQFARN-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds6

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

2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3315890) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3315890
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1
InChIInChI=1S/C15H19N3O3/c1-3-4-12(16)15-18-13(9-21-15)14(19)17-10-5-7-11(20-2)8-6-10/h5-9,12H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyYFYMBWZAEQFARN-UHFFFAOYSA-N
XLogP2.74
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,3-oxazole-4-carboxamide
CID 118557559
N-(3-ethoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726932
N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402803
N-(sec-butyl)-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 45186413
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 53195156
N-(3-fluoro-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195161
2-[(2,3-difluorophenoxy)methyl]-N-{1-[(methylamino)carbonyl]propyl}-1,3-oxazole-4-carboxamide
CID 56722996
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-ethoxy-N-methylaniline
CID 72005150
N-{4-[(oxan-4-yl)methoxy]phenyl}-5-(propan-2-yl)-1,3-oxazole-4-carboxamide
CID 72008537
2-Methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 117880263
N-(4-ethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195131
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195133

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 3315890) is 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YFYMBWZAEQFARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-12(16)15-18-13(9-21-15)14(19)17-10-5-7-11(20-2)8-6-10/h5-9,12H,3-4,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3315890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).