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

C22H16ClN3O2 — CID 170458757

IUPACN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C22H16ClN3O2/c1-14-6-8-15(9-7-14)20(27)24-19-5-3-2-4-18(19)22-26-25-21(28-22)16-10-12-17(23)13-11-16/h2-13H,1H3,(H,24,27)
InChIKeyQTPTWVVUNRKTAR-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.62
Rot. Bonds4

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

N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide (PubChem CID 170458757) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
PubChem CID170458757
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C22H16ClN3O2/c1-14-6-8-15(9-7-14)20(27)24-19-5-3-2-4-18(19)22-26-25-21(28-22)16-10-12-17(23)13-11-16/h2-13H,1H3,(H,24,27)
InChIKeyQTPTWVVUNRKTAR-UHFFFAOYSA-N
XLogP5.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide (CID 170458757) is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The InChIKey is QTPTWVVUNRKTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-14-6-8-15(9-7-14)20(27)24-19-5-3-2-4-18(19)22-26-25-21(28-22)16-10-12-17(23)13-11-16/h2-13H,1H3,(H,24,27).
What are the key properties of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 389.84 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 170458757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).