3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid

C17H20N2O4 — CID 119212192

IUPAC3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(-c2ccc(C)cc2)no1)C(=O)O
InChIInChI=1S/C17H20N2O4/c1-4-11(3)15(17(21)22)18-16(20)14-9-13(19-23-14)12-7-5-10(2)6-8-12/h5-9,11,15H,4H2,1-3H3,(H,18,20)(H,21,22)
InChIKeySCIGUFDGLOZKDD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.88
Rot. Bonds6

About 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid

3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid (PubChem CID 119212192) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
PubChem CID119212192
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(-c2ccc(C)cc2)no1)C(=O)O
InChIInChI=1S/C17H20N2O4/c1-4-11(3)15(17(21)22)18-16(20)14-9-13(19-23-14)12-7-5-10(2)6-8-12/h5-9,11,15H,4H2,1-3H3,(H,18,20)(H,21,22)
InChIKeySCIGUFDGLOZKDD-UHFFFAOYSA-N
XLogP2.88
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
(2S)-3-methyl-2-[[3-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353565
3-methyl-2-[[3-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67353464
N-[cyclopropyl-(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55668381
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid (CID 119212192) is 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid is CCC(C)C(NC(=O)c1cc(-c2ccc(C)cc2)no1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
The InChIKey is SCIGUFDGLOZKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-11(3)15(17(21)22)18-16(20)14-9-13(19-23-14)12-7-5-10(2)6-8-12/h5-9,11,15H,4H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119212192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).