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

C25H24N2O4 — CID 1015710

IUPACN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)cc1
InChIInChI=1S/C25H24N2O4/c1-16(2)15-30-21-11-4-17(5-12-21)24(28)26-19-8-13-23-22(14-19)27-25(31-23)18-6-9-20(29-3)10-7-18/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyOWSRWIFFSFUXAZ-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.79
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 1015710) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
PubChem CID1015710
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)cc1
InChIInChI=1S/C25H24N2O4/c1-16(2)15-30-21-11-4-17(5-12-21)24(28)26-19-8-13-23-22(14-19)27-25(31-23)18-6-9-20(29-3)10-7-18/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyOWSRWIFFSFUXAZ-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

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Related Compounds

N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
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
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-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 17128533
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
3-(2-methylpropoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17163393
3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127524
4-butoxy-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3877415
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide (CID 1015710) is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide is COc1ccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is OWSRWIFFSFUXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-16(2)15-30-21-11-4-17(5-12-21)24(28)26-19-8-13-23-22(14-19)27-25(31-23)18-6-9-20(29-3)10-7-18/h4-14,16H,15H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide?
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-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-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 1015710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).