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

C10H14N2O4 — CID 81364652

IUPAC4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1nc(C)c(C(=O)NCCCC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6-9(16-7(2)12-6)10(15)11-5-3-4-8(13)14/h3-5H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCJLTXJCAFRGWFI-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.89
Rot. Bonds5

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

4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 81364652) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID81364652
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1nc(C)c(C(=O)NCCCC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6-9(16-7(2)12-6)10(15)11-5-3-4-8(13)14/h3-5H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyCJLTXJCAFRGWFI-UHFFFAOYSA-N
XLogP0.89
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.89
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

N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107318424
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113365344
ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79179747
7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
CID 120524103
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 66334475
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (CID 81364652) is 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is Cc1nc(C)c(C(=O)NCCCC(=O)O)o1.
What is the InChIKey of 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is CJLTXJCAFRGWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-9(16-7(2)12-6)10(15)11-5-3-4-8(13)14/h3-5H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 81364652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).