(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide

C23H24ClN3O4 — CID 30804674

IUPAC(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cc(OC)c1
InChIInChI=1S/C23H24ClN3O4/c1-15(2)27(14-21-25-26-23(31-21)17-6-8-18(24)9-7-17)22(28)10-5-16-11-19(29-3)13-20(12-16)30-4/h5-13,15H,14H2,1-4H3/b10-5+
InChIKeyMCAHSQIVOOSQDA-BJMVGYQFSA-N
MW441.92 g/mol
LogP4.86
Rot. Bonds8

About (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide

(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 30804674) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID30804674
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cc(OC)c1
InChIInChI=1S/C23H24ClN3O4/c1-15(2)27(14-21-25-26-23(31-21)17-6-8-18(24)9-7-17)22(28)10-5-16-11-19(29-3)13-20(12-16)30-4/h5-13,15H,14H2,1-4H3/b10-5+
InChIKeyMCAHSQIVOOSQDA-BJMVGYQFSA-N
XLogP4.86
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 30804682
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345713
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 30804673
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345881
4-acetyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethyl-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 17421343
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 35346939
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 30804689
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8699771
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(6-methoxynaphthalen-2-yl)-N-methylmethanamine
CID 46615095
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide (CID 30804674) is (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide is COc1cc(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cc(OC)c1.
What is the InChIKey of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is MCAHSQIVOOSQDA-BJMVGYQFSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-15(2)27(14-21-25-26-23(31-21)17-6-8-18(24)9-7-17)22(28)10-5-16-11-19(29-3)13-20(12-16)30-4/h5-13,15H,14H2,1-4H3/b10-5+.
What are the key properties of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide?
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 441.92 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 30804674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).