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

C22H18N2O4 — CID 3161340

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1
InChIInChI=1S/C22H18N2O4/c1-26-16-10-7-14(8-11-16)21(25)23-18-13-15(9-12-19(18)27-2)22-24-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyPLUPHLVLLVKIFG-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.76
Rot. Bonds5

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

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide (PubChem CID 3161340) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
PubChem CID3161340
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1
InChIInChI=1S/C22H18N2O4/c1-26-16-10-7-14(8-11-16)21(25)23-18-13-15(9-12-19(18)27-2)22-24-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyPLUPHLVLLVKIFG-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-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-[(1R)-1-phenylethoxy]benzamide
CID 168787253
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1495772
N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 3815714
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide
CID 168787277
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
4-bromo-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]benzamide
CID 3322598

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide (CID 3161340) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
The InChIKey is PLUPHLVLLVKIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-16-10-7-14(8-11-16)21(25)23-18-13-15(9-12-19(18)27-2)22-24-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide 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 N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide is sourced from PubChem (CID 3161340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).