N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide

C18H15ClN2O4 — CID 112503065

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H15ClN2O4/c1-23-14-4-3-5-15(24-2)17(14)18(22)20-16-10-13(21-25-16)11-6-8-12(19)9-7-11/h3-10H,1-2H3,(H,20,22)
InChIKeyOQONTCYODNRDAQ-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.26
Rot. Bonds5

About N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide (PubChem CID 112503065) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
PubChem CID112503065
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H15ClN2O4/c1-23-14-4-3-5-15(24-2)17(14)18(22)20-16-10-13(21-25-16)11-6-8-12(19)9-7-11/h3-10H,1-2H3,(H,20,22)
InChIKeyOQONTCYODNRDAQ-UHFFFAOYSA-N
XLogP4.26
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 169451299
(2R)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(2-fluorophenoxy)propanamide
CID 35042818
3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
CID 35338112
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621439
2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide
CID 134522536
1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110302343
2,6-dimethoxy-N-[3-[3-(methoxymethyl)pentan-3-yl]-1,2-oxazol-5-yl]benzamide
CID 13234299
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4181945
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide (CID 112503065) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
The InChIKey is OQONTCYODNRDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-14-4-3-5-15(24-2)17(14)18(22)20-16-10-13(21-25-16)11-6-8-12(19)9-7-11/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide has a molecular weight of 358.78 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 112503065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).