2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C19H19ClN4O2 — CID 83283236

IUPAC2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCN(C)c1ccc(-c2noc(CCNC(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-24(2)14-9-7-13(8-10-14)18-22-17(26-23-18)11-12-21-19(25)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyWTQNFUVBEWSWOP-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.43
Rot. Bonds6

About 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 83283236) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID83283236
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCN(C)c1ccc(-c2noc(CCNC(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-24(2)14-9-7-13(8-10-14)18-22-17(26-23-18)11-12-21-19(25)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyWTQNFUVBEWSWOP-UHFFFAOYSA-N
XLogP3.43
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 83283236) is 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CN(C)c1ccc(-c2noc(CCNC(=O)c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is WTQNFUVBEWSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-24(2)14-9-7-13(8-10-14)18-22-17(26-23-18)11-12-21-19(25)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 370.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 83283236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).