N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide

C23H20N2O3 — CID 17163167

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C23H20N2O3/c1-15-7-6-10-18(22(15)27-2)23(26)24-17-11-12-20-19(14-17)25-21(28-20)13-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyKHLTTWQAMLWNMW-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.99
Rot. Bonds5

About N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide

N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide (PubChem CID 17163167) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
PubChem CID17163167
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C23H20N2O3/c1-15-7-6-10-18(22(15)27-2)23(26)24-17-11-12-20-19(14-17)25-21(28-20)13-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyKHLTTWQAMLWNMW-UHFFFAOYSA-N
XLogP4.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)-3,5-dichloro-2-methoxybenzamide
CID 17163170
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17027173
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 17163260
N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
CID 17163179
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
N-(2-benzyl-1,3-benzoxazol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 17163223

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide (CID 17163167) is N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide is COc1c(C)cccc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide?
The InChIKey is KHLTTWQAMLWNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-7-6-10-18(22(15)27-2)23(26)24-17-11-12-20-19(14-17)25-21(28-20)13-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide has a molecular weight of 372.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 17163167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).