N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide

C24H22N2O5 — CID 17128462

IUPACN-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4OC)ccc3o2)cc1OC
InChIInChI=1S/C24H22N2O5/c1-14-6-5-7-17(22(14)30-4)23(27)25-16-9-11-19-18(13-16)26-24(31-19)15-8-10-20(28-2)21(12-15)29-3/h5-13H,1-4H3,(H,25,27)
InChIKeyHOWGRIHOOUIFNR-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.08
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide

N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide (PubChem CID 17128462) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
PubChem CID17128462
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4OC)ccc3o2)cc1OC
InChIInChI=1S/C24H22N2O5/c1-14-6-5-7-17(22(14)30-4)23(27)25-16-9-11-19-18(13-16)26-24(31-19)15-8-10-20(28-2)21(12-15)29-3/h5-13H,1-4H3,(H,25,27)
InChIKeyHOWGRIHOOUIFNR-UHFFFAOYSA-N
XLogP5.08
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2279423
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17162616
5-bromo-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 17163354
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17027173
2-chloro-N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 21212589
N-[[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 5229611
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159
5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1341227
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide (CID 17128462) is N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide is COc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4OC)ccc3o2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide?
The InChIKey is HOWGRIHOOUIFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-14-6-5-7-17(22(14)30-4)23(27)25-16-9-11-19-18(13-16)26-24(31-19)15-8-10-20(28-2)21(12-15)29-3/h5-13H,1-4H3,(H,25,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide?
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide has a molecular weight of 418.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 17128462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).