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

C22H18N2O4 — CID 5017384

IUPAC4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(OC)ccc4o3)cc2)cc1
InChIInChI=1S/C22H18N2O4/c1-26-17-9-5-14(6-10-17)21(25)23-16-7-3-15(4-8-16)22-24-19-13-18(27-2)11-12-20(19)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyZJQKCPXQDOPTIB-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.76
Rot. Bonds5

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

4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 5017384) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID5017384
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(OC)ccc4o3)cc2)cc1
InChIInChI=1S/C22H18N2O4/c1-26-17-9-5-14(6-10-17)21(25)23-16-7-3-15(4-8-16)22-24-19-13-18(27-2)11-12-20(19)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyZJQKCPXQDOPTIB-UHFFFAOYSA-N
XLogP4.76
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.76
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
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
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
4-chloro-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 3899109
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
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110623
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 5017384) is 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4cc(OC)ccc4o3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is ZJQKCPXQDOPTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-17-9-5-14(6-10-17)21(25)23-16-7-3-15(4-8-16)22-24-19-13-18(27-2)11-12-20(19)28-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 5017384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).