N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide

C22H16ClN3O2 — CID 3342651

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16ClN3O2/c23-18-14-8-7-13-17(18)21-25-26-22(28-21)24-20(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,24,26,27)
InChIKeyYCMNMQKJYGQWHK-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.16
Rot. Bonds5

About N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 3342651) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
PubChem CID3342651
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16ClN3O2/c23-18-14-8-7-13-17(18)21-25-26-22(28-21)24-20(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,24,26,27)
InChIKeyYCMNMQKJYGQWHK-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 43972132
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 3412636
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362573
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 5154529
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 18576988
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 7295032
2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 22661060
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea
CID 28997128

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (CID 3342651) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is O=C(Nc1nnc(-c2ccccc2Cl)o1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is YCMNMQKJYGQWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-18-14-8-7-13-17(18)21-25-26-22(28-21)24-20(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,24,26,27).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 389.84 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 3342651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).