N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

C17H14ClN3O2 — CID 110393467

IUPACN-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C17H14ClN3O2/c18-13-8-4-5-9-14(13)19-16(22)17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyUGOCLXDZQWRDFM-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.76
Rot. Bonds5

About N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide

N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393467) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393467
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nnc(CCc2ccccc2)o1
InChIInChI=1S/C17H14ClN3O2/c18-13-8-4-5-9-14(13)19-16(22)17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyUGOCLXDZQWRDFM-UHFFFAOYSA-N
XLogP3.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393516
N-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393466
5-(2-phenylethyl)-N-prop-2-enyl-1,3,4-oxadiazole-2-carboxamide
CID 110393366
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
N-pentyl-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393441
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393337
5-[2-(3-chlorophenyl)ethyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82131772
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393467) is N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccccc1Cl)c1nnc(CCc2ccccc2)o1.
What is the InChIKey of N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UGOCLXDZQWRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-8-4-5-9-14(13)19-16(22)17-21-20-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).