N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C21H18ClN5O3 — CID 66791303

IUPACN-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCc2nnc(-c3cccc(Cl)c3)o2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H18ClN5O3/c1-13-11-27(12-24-13)17-7-6-14(9-18(17)29-2)20(28)23-10-19-25-26-21(30-19)15-4-3-5-16(22)8-15/h3-9,11-12H,10H2,1-2H3,(H,23,28)
InChIKeyAXPZNRBYXQGQGG-UHFFFAOYSA-N
MW423.86 g/mol
LogP3.82
Rot. Bonds6

About N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 66791303) has the molecular formula C21H18ClN5O3 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID66791303
Molecular FormulaC21H18ClN5O3
Molecular Weight423.86 g/mol
Exact Mass423.11
IUPAC NameN-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCc2nnc(-c3cccc(Cl)c3)o2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H18ClN5O3/c1-13-11-27(12-24-13)17-7-6-14(9-18(17)29-2)20(28)23-10-19-25-26-21(30-19)15-4-3-5-16(22)8-15/h3-9,11-12H,10H2,1-2H3,(H,23,28)
InChIKeyAXPZNRBYXQGQGG-UHFFFAOYSA-N
XLogP3.82
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 66791303) is N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NCc2nnc(-c3cccc(Cl)c3)o2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is AXPZNRBYXQGQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O3/c1-13-11-27(12-24-13)17-7-6-14(9-18(17)29-2)20(28)23-10-19-25-26-21(30-19)15-4-3-5-16(22)8-15/h3-9,11-12H,10H2,1-2H3,(H,23,28).
What are the key properties of N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 423.86 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 66791303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).