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

C16H21N3O3 — CID 3435159

IUPAC2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)C(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1
InChIInChI=1S/C16H21N3O3/c1-4-10(2)14(17)16-19-13(9-22-16)15(20)18-11-5-7-12(21-3)8-6-11/h5-10,14H,4,17H2,1-3H3,(H,18,20)
InChIKeyXPBFLTDGZYRKSX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.98
Rot. Bonds6

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

2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3435159) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3435159
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)C(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1
InChIInChI=1S/C16H21N3O3/c1-4-10(2)14(17)16-19-13(9-22-16)15(20)18-11-5-7-12(21-3)8-6-11/h5-10,14H,4,17H2,1-3H3,(H,18,20)
InChIKeyXPBFLTDGZYRKSX-UHFFFAOYSA-N
XLogP2.98
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.98
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
4-methoxy-N-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methyl]aniline
CID 156768718
N-(2-methoxy-5-methylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402803
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxamide
CID 53168460
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-isopropyl-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole-4-carboxamide"
CID 53195227
N-{4-[(oxan-4-yl)methoxy]phenyl}-5-(propan-2-yl)-1,3-oxazole-4-carboxamide
CID 72008537
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46220187
N-(4-ethoxyphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195131
N-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195136
"N-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide"
CID 53195177

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 3435159) is 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is CCC(C)C(N)c1nc(C(=O)Nc2ccc(OC)cc2)co1.
What is the InChIKey of 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XPBFLTDGZYRKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-10(2)14(17)16-19-13(9-22-16)15(20)18-11-5-7-12(21-3)8-6-11/h5-10,14H,4,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3435159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).