N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide

C17H16N2O4 — CID 110388020

IUPACN-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3oc(C)nc3c2)c(OC)c1
InChIInChI=1S/C17H16N2O4/c1-10-18-14-8-11(4-7-15(14)23-10)17(20)19-13-6-5-12(21-2)9-16(13)22-3/h4-9H,1-3H3,(H,19,20)
InChIKeyFPXDSZUEUKQFBQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.41
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide

N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 110388020) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID110388020
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3oc(C)nc3c2)c(OC)c1
InChIInChI=1S/C17H16N2O4/c1-10-18-14-8-11(4-7-15(14)23-10)17(20)19-13-6-5-12(21-2)9-16(13)22-3/h4-9H,1-3H3,(H,19,20)
InChIKeyFPXDSZUEUKQFBQ-UHFFFAOYSA-N
XLogP3.41
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388057
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392914
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-(2,4-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766578
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390669

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide (CID 110388020) is N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide is COc1ccc(NC(=O)c2ccc3oc(C)nc3c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is FPXDSZUEUKQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-18-14-8-11(4-7-15(14)23-10)17(20)19-13-6-5-12(21-2)9-16(13)22-3/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).