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

C24H19ClN2O3 — CID 100502448

IUPACN-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3C)o2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-15-7-10-17(25)13-21(15)27-23(28)19-5-3-4-6-20(19)24-26-14-22(30-24)16-8-11-18(29-2)12-9-16/h3-14H,1-2H3,(H,27,28)
InChIKeyJEHKASPVKFIUBV-UHFFFAOYSA-N
MW418.88 g/mol
LogP6.23
Rot. Bonds5

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

N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100502448) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100502448
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3C)o2)cc1
InChIInChI=1S/C24H19ClN2O3/c1-15-7-10-17(25)13-21(15)27-23(28)19-5-3-4-6-20(19)24-26-14-22(30-24)16-8-11-18(29-2)12-9-16/h3-14H,1-2H3,(H,27,28)
InChIKeyJEHKASPVKFIUBV-UHFFFAOYSA-N
XLogP6.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503547
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293
N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502024
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate
CID 100514052
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100505980
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100502448) is N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3C)o2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is JEHKASPVKFIUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-15-7-10-17(25)13-21(15)27-23(28)19-5-3-4-6-20(19)24-26-14-22(30-24)16-8-11-18(29-2)12-9-16/h3-14H,1-2H3,(H,27,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100502448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).