(E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide

C19H16N4O2 — CID 29329623

IUPAC(E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NCCc1cn2ccccc2n1
InChIInChI=1S/C19H16N4O2/c24-18(8-9-19-22-15-5-1-2-6-16(15)25-19)20-11-10-14-13-23-12-4-3-7-17(23)21-14/h1-9,12-13H,10-11H2,(H,20,24)/b9-8+
InChIKeyMVMNJORZOPSZSN-CMDGGOBGSA-N
MW332.36 g/mol
LogP2.85
Rot. Bonds5

About (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide

(E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide (PubChem CID 29329623) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide
PubChem CID29329623
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name(E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1nc2ccccc2o1)NCCc1cn2ccccc2n1
InChIInChI=1S/C19H16N4O2/c24-18(8-9-19-22-15-5-1-2-6-16(15)25-19)20-11-10-14-13-23-12-4-3-7-17(23)21-14/h1-9,12-13H,10-11H2,(H,20,24)/b9-8+
InChIKeyMVMNJORZOPSZSN-CMDGGOBGSA-N
XLogP2.85
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
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CID 94653719
N-(2-amino-2-oxoethyl)-3-(1,3-benzoxazol-2-yl)prop-2-enamide
CID 76873687
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]prop-2-enamide
CID 95738709
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(4-benzylpiperazin-1-yl)ethyl]prop-2-enamide
CID 39982246
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide
CID 32835378
3-(1,3-benzoxazol-2-yl)-N-(2-bromoprop-2-enyl)prop-2-enamide
CID 91942685
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31008366
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
3-(1,3-benzoxazol-2-yl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055782
3-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953448
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-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide (CID 29329623) is (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide is O=C(/C=C/c1nc2ccccc2o1)NCCc1cn2ccccc2n1.
What is the InChIKey of (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide?
The InChIKey is MVMNJORZOPSZSN-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18(8-9-19-22-15-5-1-2-6-16(15)25-19)20-11-10-14-13-23-12-4-3-7-17(23)21-14/h1-9,12-13H,10-11H2,(H,20,24)/b9-8+.
What are the key properties of (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide?
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide has a molecular weight of 332.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzoxazol-2-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 29329623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).