1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

C19H16N4O3 — CID 66573857

IUPAC1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCOc1ccc(-c2nnc(CCC(=O)c3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C19H16N4O3/c1-25-13-8-6-12(7-9-13)19-23-22-17(26-19)11-10-16(24)18-20-14-4-2-3-5-15(14)21-18/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyLCUDWDWHZKZGMF-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.44
Rot. Bonds6

About 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 66573857) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID66573857
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCOc1ccc(-c2nnc(CCC(=O)c3nc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C19H16N4O3/c1-25-13-8-6-12(7-9-13)19-23-22-17(26-19)11-10-16(24)18-20-14-4-2-3-5-15(14)21-18/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyLCUDWDWHZKZGMF-UHFFFAOYSA-N
XLogP3.44
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 134044563
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55937351
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 66573857) is 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is COc1ccc(-c2nnc(CCC(=O)c3nc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is LCUDWDWHZKZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-25-13-8-6-12(7-9-13)19-23-22-17(26-19)11-10-16(24)18-20-14-4-2-3-5-15(14)21-18/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 348.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 66573857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).