(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide

C18H14ClN3O2S — CID 7295048

IUPAC(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCSc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-25-14-9-6-13(7-10-14)17-21-22-18(24-17)20-16(23)11-8-12-4-2-3-5-15(12)19/h2-11H,1H3,(H,20,22,23)/b11-8+
InChIKeyAPXVVIRSCUBWTP-DHZHZOJOSA-N
MW371.85 g/mol
LogP4.76
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 7295048) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID7295048
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESCSc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-25-14-9-6-13(7-10-14)17-21-22-18(24-17)20-16(23)11-8-12-4-2-3-5-15(12)19/h2-11H,1H3,(H,20,22,23)/b11-8+
InChIKeyAPXVVIRSCUBWTP-DHZHZOJOSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.76
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

3-(2-chlorophenyl)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74908853
3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 5185539
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2-chlorophenyl)prop-2-enamide
CID 71962268
(E)-3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43976983
(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 6012658
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022288
N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
CID 73010503
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 78756281
3-(2-chlorophenyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74732897
(E)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 7578317
(E)-3-(2-chlorophenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43975112
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977755

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 7295048) is (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is CSc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3Cl)o2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is APXVVIRSCUBWTP-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-25-14-9-6-13(7-10-14)17-21-22-18(24-17)20-16(23)11-8-12-4-2-3-5-15(12)19/h2-11H,1H3,(H,20,22,23)/b11-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 371.85 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 7295048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).