(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

C20H17N3O2 — CID 17426636

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c24-19(9-10-20-23-17-7-3-4-8-18(17)25-20)21-12-11-14-13-22-16-6-2-1-5-15(14)16/h1-10,13,22H,11-12H2,(H,21,24)/b10-9+
InChIKeyZVKGSQHGORCYLA-MDZDMXLPSA-N
MW331.38 g/mol
LogP3.68
Rot. Bonds5

About (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (PubChem CID 17426636) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
PubChem CID17426636
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c24-19(9-10-20-23-17-7-3-4-8-18(17)25-20)21-12-11-14-13-22-16-6-2-1-5-15(14)16/h1-10,13,22H,11-12H2,(H,21,24)/b10-9+
InChIKeyZVKGSQHGORCYLA-MDZDMXLPSA-N
XLogP3.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide 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

(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide
CID 49409260
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511705
(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
CID 47101909
N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
N-(2-amino-2-oxoethyl)-3-(1,3-benzoxazol-2-yl)prop-2-enamide
CID 76873687
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51164019
[4-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 11530966
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
3-(1,3-benzoxazol-2-yl)-N-(2-hydroxy-2-methylbutyl)prop-2-enamide
CID 77056591

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (CID 17426636) is (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is O=C(/C=C/c1nc2ccccc2o1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
The InChIKey is ZVKGSQHGORCYLA-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(9-10-20-23-17-7-3-4-8-18(17)25-20)21-12-11-14-13-22-16-6-2-1-5-15(14)16/h1-10,13,22H,11-12H2,(H,21,24)/b10-9+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide has a molecular weight of 331.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 17426636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).