4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid

C10H14N2O4 — CID 119347108

IUPAC4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
SMILESCc1ocnc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-7-9(11-6-16-7)10(15)12(2)5-3-4-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeySANTYTFPQMYFLR-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.92
Rot. Bonds5

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

4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid (PubChem CID 119347108) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
PubChem CID119347108
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
SMILESCc1ocnc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-7-9(11-6-16-7)10(15)12(2)5-3-4-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeySANTYTFPQMYFLR-UHFFFAOYSA-N
XLogP0.92
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119232828
4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 110835484
N,5-dimethyl-N-[2-(4-methylphenyl)sulfanylethyl]-1,3-oxazole-4-carboxamide
CID 74247897
4-[methyl-(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid
CID 43092358
4-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 110836565
4-[methyl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 115596387
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 43240394
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43565635
4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 110836782
4-[methyl-(1-methyl-4-nitropyrazole-3-carbonyl)amino]butanoic acid
CID 120684493

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid (CID 119347108) is 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid is Cc1ocnc1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
The InChIKey is SANTYTFPQMYFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-9(11-6-16-7)10(15)12(2)5-3-4-8(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid?
4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119347108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).