(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid

C11H14N2O5 — CID 120693945

IUPAC(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cc(OC)no1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-3-4-5-7(11(15)16)12-10(14)8-6-9(17-2)13-18-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)(H,15,16)/b4-3+
InChIKeySSHGKWHPZMUDOM-ONEGZZNKSA-N
MW254.24 g/mol
LogP0.83
Rot. Bonds6

About (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid

(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid (PubChem CID 120693945) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
PubChem CID120693945
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cc(OC)no1)C(=O)O
InChIInChI=1S/C11H14N2O5/c1-3-4-5-7(11(15)16)12-10(14)8-6-9(17-2)13-18-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)(H,15,16)/b4-3+
InChIKeySSHGKWHPZMUDOM-ONEGZZNKSA-N
XLogP0.83
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic 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

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
CID 120692636
(E)-2-[(2,6-dimethoxybenzoyl)amino]hex-4-enoic acid
CID 120692945
(E)-2-[(3-fluoro-4-methoxybenzoyl)amino]hex-4-enoic acid
CID 120694126
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
(E)-2-(3-methoxypropanoylamino)hex-4-enoic acid
CID 120693576
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
(E)-2-[(4-bromo-2-methoxybenzoyl)amino]hex-4-enoic acid
CID 120692805
3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 120532079
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
(E)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)hex-4-enoic acid
CID 120693428

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid (CID 120693945) is (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)c1cc(OC)no1)C(=O)O.
What is the InChIKey of (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid?
The InChIKey is SSHGKWHPZMUDOM-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-4-5-7(11(15)16)12-10(14)8-6-9(17-2)13-18-8/h3-4,6-7H,5H2,1-2H3,(H,12,14)(H,15,16)/b4-3+.
What are the key properties of (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid?
(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid has a molecular weight of 254.24 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120693945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).