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

C18H16ClN3O2 — CID 73254044

IUPAC4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCC(C)c1noc(-c2ccccc2NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-11(2)16-21-18(24-22-16)14-5-3-4-6-15(14)20-17(23)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H,20,23)
InChIKeyIERZIDDDNKDSRW-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.77
Rot. Bonds4

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

4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 73254044) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID73254044
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCC(C)c1noc(-c2ccccc2NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O2/c1-11(2)16-21-18(24-22-16)14-5-3-4-6-15(14)20-17(23)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H,20,23)
InChIKeyIERZIDDDNKDSRW-UHFFFAOYSA-N
XLogP4.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
4-chloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329541
5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 73254024
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
CID 47485656
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
4-N-tert-butyl-1-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzene-1,4-dicarboxamide
CID 56568237
N-[(4-chlorophenyl)methyl]-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745941
N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178604
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 2799969

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 73254044) is 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is CC(C)c1noc(-c2ccccc2NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is IERZIDDDNKDSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11(2)16-21-18(24-22-16)14-5-3-4-6-15(14)20-17(23)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H,20,23).
What are the key properties of 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 341.80 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 73254044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).