(3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid

C21H28N2O5 — CID 11383668

IUPAC(3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid
SMILESCCO/N=C(\C)C(Cc1ccc(OCc2nc(C(C)C)oc2C)cc1)C(=O)O
InChIInChI=1S/C21H28N2O5/c1-6-27-23-14(4)18(21(24)25)11-16-7-9-17(10-8-16)26-12-19-15(5)28-20(22-19)13(2)3/h7-10,13,18H,6,11-12H2,1-5H3,(H,24,25)/b23-14+
InChIKeyMFKFQVDTDFBZAZ-OEAKJJBVSA-N
MW388.46 g/mol
LogP4.34
Rot. Bonds10

About (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid

(3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid (PubChem CID 11383668) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name(3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid
PubChem CID11383668
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name(3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid
SMILESCCO/N=C(\C)C(Cc1ccc(OCc2nc(C(C)C)oc2C)cc1)C(=O)O
InChIInChI=1S/C21H28N2O5/c1-6-27-23-14(4)18(21(24)25)11-16-7-9-17(10-8-16)26-12-19-15(5)28-20(22-19)13(2)3/h7-10,13,18H,6,11-12H2,1-5H3,(H,24,25)/b23-14+
InChIKeyMFKFQVDTDFBZAZ-OEAKJJBVSA-N
XLogP4.34
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid?
The IUPAC name of (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid (CID 11383668) is (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid.
What is the SMILES notation for (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid?
The canonical SMILES for (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid is CCO/N=C(\C)C(Cc1ccc(OCc2nc(C(C)C)oc2C)cc1)C(=O)O.
What is the InChIKey of (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid?
The InChIKey is MFKFQVDTDFBZAZ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-6-27-23-14(4)18(21(24)25)11-16-7-9-17(10-8-16)26-12-19-15(5)28-20(22-19)13(2)3/h7-10,13,18H,6,11-12H2,1-5H3,(H,24,25)/b23-14+.
What are the key properties of (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid?
(3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid has a molecular weight of 388.46 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethoxyimino-2-[[4-[(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]butanoic acid is sourced from PubChem (CID 11383668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).