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

C9H12N2O4 — CID 110835178

IUPAC4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
SMILESCc1cnc(C(=O)NCCCC(=O)O)o1
InChIInChI=1S/C9H12N2O4/c1-6-5-11-9(15-6)8(14)10-4-2-3-7(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyLFNVJDLRBUIEOL-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.58
Rot. Bonds5

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

4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid (PubChem CID 110835178) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
PubChem CID110835178
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
SMILESCc1cnc(C(=O)NCCCC(=O)O)o1
InChIInChI=1S/C9H12N2O4/c1-6-5-11-9(15-6)8(14)10-4-2-3-7(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyLFNVJDLRBUIEOL-UHFFFAOYSA-N
XLogP0.58
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 66334475
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
N-methoxy-5-methyl-1,3-oxazole-2-carboxamide
CID 126994874
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752465
4-[(2-methylfuran-3-carbonyl)amino]butanoic acid
CID 16777160
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide
CID 84578114
N-[2-[4-(5-chloro-2-fluorophenyl)phenyl]ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 130218010
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid (CID 110835178) is 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid is Cc1cnc(C(=O)NCCCC(=O)O)o1.
What is the InChIKey of 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
The InChIKey is LFNVJDLRBUIEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-5-11-9(15-6)8(14)10-4-2-3-7(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid?
4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110835178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).