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

C11H14N2O4 — CID 120692636

IUPAC(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cc(C)on1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-3-4-5-8(11(15)16)12-10(14)9-6-7(2)17-13-9/h3-4,6,8H,5H2,1-2H3,(H,12,14)(H,15,16)/b4-3+
InChIKeyHWGALQFEQQSVLV-ONEGZZNKSA-N
MW238.24 g/mol
LogP1.13
Rot. Bonds5

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

(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid (PubChem CID 120692636) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
PubChem CID120692636
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1cc(C)on1)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-3-4-5-8(11(15)16)12-10(14)9-6-7(2)17-13-9/h3-4,6,8H,5H2,1-2H3,(H,12,14)(H,15,16)/b4-3+
InChIKeyHWGALQFEQQSVLV-ONEGZZNKSA-N
XLogP1.13
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
CID 120693945
(E)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]hex-4-enoic acid
CID 120694047
3-(4-hydroxyphenyl)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 43209778
2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]non-8-enoic acid
CID 67296662
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
(E)-2-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]hex-4-enoic acid
CID 120693244
(E)-2-[(3,4-dimethylbenzoyl)amino]hex-4-enoic acid
CID 120694168
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
(E)-2-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hex-4-enoic acid
CID 120693059

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid (CID 120692636) is (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)c1cc(C)on1)C(=O)O.
What is the InChIKey of (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid?
The InChIKey is HWGALQFEQQSVLV-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-4-5-8(11(15)16)12-10(14)9-6-7(2)17-13-9/h3-4,6,8H,5H2,1-2H3,(H,12,14)(H,15,16)/b4-3+.
What are the key properties of (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid?
(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120692636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).