N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide

C25H24N2O4 — CID 3969096

IUPACN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1
InChIInChI=1S/C25H24N2O4/c1-16(2)15-30-20-10-6-17(7-11-20)24(28)26-19-8-4-18(5-9-19)25-27-22-14-21(29-3)12-13-23(22)31-25/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyIYJOCAHWXUOAFE-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.79
Rot. Bonds7

About N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide

N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 3969096) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID3969096
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1
InChIInChI=1S/C25H24N2O4/c1-16(2)15-30-20-10-6-17(7-11-20)24(28)26-19-8-4-18(5-9-19)25-27-22-14-21(29-3)12-13-23(22)31-25/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyIYJOCAHWXUOAFE-UHFFFAOYSA-N
XLogP5.79
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
CID 5027281
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110623
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 17128533
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
4-chloro-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 3899109

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide (CID 3969096) is N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide is COc1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is IYJOCAHWXUOAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-16(2)15-30-20-10-6-17(7-11-20)24(28)26-19-8-4-18(5-9-19)25-27-22-14-21(29-3)12-13-23(22)31-25/h4-14,16H,15H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 416.48 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 3969096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).