N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide

C24H22N2O5 — CID 135645410

IUPACN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c(OC)c1
InChIInChI=1S/C24H22N2O5/c1-13-9-14(2)22-19(10-13)26-24(31-22)18-11-15(5-8-20(18)27)25-23(28)17-7-6-16(29-3)12-21(17)30-4/h5-12,27H,1-4H3,(H,25,28)
InChIKeyQDBWTYAMWBLHAQ-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.09
Rot. Bonds5

About N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide (PubChem CID 135645410) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide
PubChem CID135645410
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c(OC)c1
InChIInChI=1S/C24H22N2O5/c1-13-9-14(2)22-19(10-13)26-24(31-22)18-11-15(5-8-20(18)27)25-23(28)17-7-6-16(29-3)12-21(17)30-4/h5-12,27H,1-4H3,(H,25,28)
InChIKeyQDBWTYAMWBLHAQ-UHFFFAOYSA-N
XLogP5.09
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 135610414
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide
CID 135765722
2,3,5-tribromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]benzamide
CID 135765629
3,5-dichloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 137118511
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
CID 711630
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide
CID 3127993
3-bromo-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]benzamide
CID 135775843
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 19631384
4-bromo-N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17318651
3,5-dichloro-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 137118495
N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,4-dimethylbenzamide
CID 135717985
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 135447235

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide (CID 135645410) is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c(OC)c1.
What is the InChIKey of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide?
The InChIKey is QDBWTYAMWBLHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-13-9-14(2)22-19(10-13)26-24(31-22)18-11-15(5-8-20(18)27)25-23(28)17-7-6-16(29-3)12-21(17)30-4/h5-12,27H,1-4H3,(H,25,28).
What are the key properties of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide?
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide has a molecular weight of 418.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 135645410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).