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

C16H12ClN3O3 — CID 7693026

IUPAC3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H12ClN3O3/c1-22-13-7-5-10(6-8-13)14-15(20-23-19-14)18-16(21)11-3-2-4-12(17)9-11/h2-9H,1H3,(H,18,20,21)
InChIKeyYLZVRBJXYBCLQX-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.65
Rot. Bonds4

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

3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 7693026) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID7693026
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H12ClN3O3/c1-22-13-7-5-10(6-8-13)14-15(20-23-19-14)18-16(21)11-3-2-4-12(17)9-11/h2-9H,1H3,(H,18,20,21)
InChIKeyYLZVRBJXYBCLQX-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
3-methoxy-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711035
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17013592
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-4-propan-2-yloxybenzamide
CID 17013908
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
3,5-dichloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693942

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 7693026) is 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide is COc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is YLZVRBJXYBCLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-22-13-7-5-10(6-8-13)14-15(20-23-19-14)18-16(21)11-3-2-4-12(17)9-11/h2-9H,1H3,(H,18,20,21).
What are the key properties of 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 329.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 7693026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).