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

C21H21ClN4O2 — CID 16557614

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c1
InChIInChI=1S/C21H21ClN4O2/c1-25(2)16-7-5-6-14(12-16)21(27)26(15-10-11-15)13-19-23-24-20(28-19)17-8-3-4-9-18(17)22/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyGHQHLBMSWFPSNK-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.26
Rot. Bonds6

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide (PubChem CID 16557614) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
PubChem CID16557614
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c1
InChIInChI=1S/C21H21ClN4O2/c1-25(2)16-7-5-6-14(12-16)21(27)26(15-10-11-15)13-19-23-24-20(28-19)17-8-3-4-9-18(17)22/h3-9,12,15H,10-11,13H2,1-2H3
InChIKeyGHQHLBMSWFPSNK-UHFFFAOYSA-N
XLogP4.26
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 16557620
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 16557574
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 8011669
3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
CID 16557654
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-2-nitrobenzamide
CID 16959909
5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 16561427
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 16563402
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide
CID 17436001
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-nitrothiophene-2-carboxamide
CID 39911748
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-methylphenyl)sulfanylacetamide
CID 39731359

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide (CID 16557614) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide?
The InChIKey is GHQHLBMSWFPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-25(2)16-7-5-6-14(12-16)21(27)26(15-10-11-15)13-19-23-24-20(28-19)17-8-3-4-9-18(17)22/h3-9,12,15H,10-11,13H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide has a molecular weight of 396.88 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide is sourced from PubChem (CID 16557614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).