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

C17H20N2O4 — CID 119204643

IUPAC4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)CCC(=O)O)on2)cc1
InChIInChI=1S/C17H20N2O4/c1-11-4-6-12(7-5-11)13-10-14(23-19-13)16(22)18-17(2,3)9-8-15(20)21/h4-7,10H,8-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyIRCYZOZIQYHKBI-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.02
Rot. Bonds6

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

4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid (PubChem CID 119204643) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
PubChem CID119204643
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)CCC(=O)O)on2)cc1
InChIInChI=1S/C17H20N2O4/c1-11-4-6-12(7-5-11)13-10-14(23-19-13)16(22)18-17(2,3)9-8-15(20)21/h4-7,10H,8-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyIRCYZOZIQYHKBI-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941
4-methyl-4-[(5-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 62043103
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 120519400
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid (CID 119204643) is 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid is Cc1ccc(-c2cc(C(=O)NC(C)(C)CCC(=O)O)on2)cc1.
What is the InChIKey of 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
The InChIKey is IRCYZOZIQYHKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-4-6-12(7-5-11)13-10-14(23-19-13)16(22)18-17(2,3)9-8-15(20)21/h4-7,10H,8-9H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid?
4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid has a molecular weight of 316.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119204643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).