4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid

C13H21N3O4 — CID 79242130

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCc1noc(C)c1CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H21N3O4/c1-8-10(9(2)20-16-8)7-14-12(19)15-13(3,4)6-5-11(17)18/h5-7H2,1-4H3,(H,17,18)(H2,14,15,19)
InChIKeyWEDSJDDNFQXMIS-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.73
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 79242130) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
PubChem CID79242130
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCc1noc(C)c1CNC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H21N3O4/c1-8-10(9(2)20-16-8)7-14-12(19)15-13(3,4)6-5-11(17)18/h5-7H2,1-4H3,(H,17,18)(H2,14,15,19)
InChIKeyWEDSJDDNFQXMIS-UHFFFAOYSA-N
XLogP1.73
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 79242053
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 79241741
4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119357344
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 79241738
4-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 63284168
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985
2-[carboxymethyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79242133
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
3-[cyclopropyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 79241978
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid (CID 79242130) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid is Cc1noc(C)c1CNC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is WEDSJDDNFQXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8-10(9(2)20-16-8)7-14-12(19)15-13(3,4)6-5-11(17)18/h5-7H2,1-4H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 79242130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).