(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid

C14H20N2O5 — CID 11197217

IUPAC(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1nc(/C=C/C(=O)O)co1
InChIInChI=1S/C14H20N2O5/c1-5-10(16-13(19)21-14(2,3)4)12-15-9(8-20-12)6-7-11(17)18/h6-8,10H,5H2,1-4H3,(H,16,19)(H,17,18)/b7-6+/t10-/m0/s1
InChIKeyBEEQBWADTXYJKW-FGEFZZPRSA-N
MW296.32 g/mol
LogP2.75
Rot. Bonds5

About (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid

(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid (PubChem CID 11197217) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid
PubChem CID11197217
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid
SMILESCC[C@H](NC(=O)OC(C)(C)C)c1nc(/C=C/C(=O)O)co1
InChIInChI=1S/C14H20N2O5/c1-5-10(16-13(19)21-14(2,3)4)12-15-9(8-20-12)6-7-11(17)18/h6-8,10H,5H2,1-4H3,(H,16,19)(H,17,18)/b7-6+/t10-/m0/s1
InChIKeyBEEQBWADTXYJKW-FGEFZZPRSA-N
XLogP2.75
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-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

tert-butyl N-[(1S)-1-[4-[(E)-2-methyl-3-oxoprop-1-enyl]-1,3-oxazol-2-yl]-2-(4-phenylmethoxyphenyl)ethyl]carbamate
CID 46867329
methyl 2-[(1S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
CID 10686554
tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 68670260
tert-butyl N-[(1S)-1-[4-[4-(carbamoylamino)butylcarbamoyl]-1,3-oxazol-2-yl]-3-methylbutyl]carbamate
CID 138747383
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[1-(5-methoxyfuran-2-yl)propyl]carbamate
CID 134857276
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid
CID 102496211
tert-butyl N-[1-(6-acetyl-3-fluoro-2-pyridinyl)propyl]carbamate
CID 145244558
ethyl (2Z,4E)-2,4-dimethyl-5-[2-[(1S)-1-[[(3S,4S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoyl]amino]-2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazol-4-yl]penta-2,4-dienoate
CID 46867463
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propylpyrazol-4-yl)propanoic acid
CID 103572263

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid (CID 11197217) is (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid is CC[C@H](NC(=O)OC(C)(C)C)c1nc(/C=C/C(=O)O)co1.
What is the InChIKey of (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid?
The InChIKey is BEEQBWADTXYJKW-FGEFZZPRSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-5-10(16-13(19)21-14(2,3)4)12-15-9(8-20-12)6-7-11(17)18/h6-8,10H,5H2,1-4H3,(H,16,19)(H,17,18)/b7-6+/t10-/m0/s1.
What are the key properties of (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid?
(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid has a molecular weight of 296.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid is sourced from PubChem (CID 11197217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).