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

C22H17ClN2O2 — CID 23771066

IUPAC2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1cccc(-c2nc3cc(NC(=O)c4ccc(C)cc4Cl)ccc3o2)c1
InChIInChI=1S/C22H17ClN2O2/c1-13-4-3-5-15(10-13)22-25-19-12-16(7-9-20(19)27-22)24-21(26)17-8-6-14(2)11-18(17)23/h3-12H,1-2H3,(H,24,26)
InChIKeyRENWBLVPZBWHAQ-UHFFFAOYSA-N
MW376.84 g/mol
LogP6.02
Rot. Bonds3

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

2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 23771066) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID23771066
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1cccc(-c2nc3cc(NC(=O)c4ccc(C)cc4Cl)ccc3o2)c1
InChIInChI=1S/C22H17ClN2O2/c1-13-4-3-5-15(10-13)22-25-19-12-16(7-9-20(19)27-22)24-21(26)17-8-6-14(2)11-18(17)23/h3-12H,1-2H3,(H,24,26)
InChIKeyRENWBLVPZBWHAQ-UHFFFAOYSA-N
XLogP6.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
CID 2279203
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
2-chloro-4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 7106139
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
2,4-dichloro-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2269192
2-chloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
CID 23819434
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 3095595
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 23771066) is 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is Cc1cccc(-c2nc3cc(NC(=O)c4ccc(C)cc4Cl)ccc3o2)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is RENWBLVPZBWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-13-4-3-5-15(10-13)22-25-19-12-16(7-9-20(19)27-22)24-21(26)17-8-6-14(2)11-18(17)23/h3-12H,1-2H3,(H,24,26).
What are the key properties of 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 23771066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).