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

C20H18ClN3O2 — CID 53041787

IUPAC4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c21-16-10-8-13(9-11-16)19(25)22-17-7-3-6-15(12-17)18-23-20(26-24-18)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H,22,25)
InChIKeyULBBJVHKRGAOAV-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.30
Rot. Bonds4

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

4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 53041787) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID53041787
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c21-16-10-8-13(9-11-16)19(25)22-17-7-3-6-15(12-17)18-23-20(26-24-18)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H,22,25)
InChIKeyULBBJVHKRGAOAV-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041739
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
1-(2-chlorophenyl)-3-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777666
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
5-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
CID 53057030
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 53041787) is 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is ULBBJVHKRGAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-10-8-13(9-11-16)19(25)22-17-7-3-6-15(12-17)18-23-20(26-24-18)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H,22,25).
What are the key properties of 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 367.84 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 53041787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).