(E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide

C17H12Cl2N4O2 — CID 78841224

IUPAC(E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H12Cl2N4O2/c18-13-3-1-2-11(16(13)19)4-5-14(24)21-10-15-22-17(23-25-15)12-6-8-20-9-7-12/h1-9H,10H2,(H,21,24)/b5-4+
InChIKeyJPWOCMXPLBYUAM-SNAWJCMRSA-N
MW375.22 g/mol
LogP3.77
Rot. Bonds5

About (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide

(E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide (PubChem CID 78841224) has the molecular formula C17H12Cl2N4O2 and a molecular weight of 375.22 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
PubChem CID78841224
Molecular FormulaC17H12Cl2N4O2
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C17H12Cl2N4O2/c18-13-3-1-2-11(16(13)19)4-5-14(24)21-10-15-22-17(23-25-15)12-6-8-20-9-7-12/h1-9H,10H2,(H,21,24)/b5-4+
InChIKeyJPWOCMXPLBYUAM-SNAWJCMRSA-N
XLogP3.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.77
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

(E)-3-(2-methoxyphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
CID 50874819
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 71819912
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]prop-1-enyl]pyrrole-3-carboxylate
CID 78849296
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 71951744
2,6-dichloro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875106
(E)-3-(2,3-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide
CID 56579910
(Z)-3-(2-fluorophenyl)-N-[[3-(2-oxo-1H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91818722
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
N-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylprop-2-enamide
CID 171136454
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide (CID 78841224) is (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)NCc1nc(-c2ccncc2)no1.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is JPWOCMXPLBYUAM-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2/c18-13-3-1-2-11(16(13)19)4-5-14(24)21-10-15-22-17(23-25-15)12-6-8-20-9-7-12/h1-9H,10H2,(H,21,24)/b5-4+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 375.22 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 78841224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).