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

C22H18N2O3 — CID 1215864

IUPACN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1
InChIInChI=1S/C22H18N2O3/c1-14-17(22-24-19-7-3-4-9-20(19)27-22)6-5-8-18(14)23-21(25)15-10-12-16(26-2)13-11-15/h3-13H,1-2H3,(H,23,25)
InChIKeyBKHPPOBMRIZLHU-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.06
Rot. Bonds4

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

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide (PubChem CID 1215864) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
PubChem CID1215864
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1
InChIInChI=1S/C22H18N2O3/c1-14-17(22-24-19-7-3-4-9-20(19)27-22)6-5-8-18(14)23-21(25)15-10-12-16(26-2)13-11-15/h3-13H,1-2H3,(H,23,25)
InChIKeyBKHPPOBMRIZLHU-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-nitrobenzamide
CID 3364996
methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
CID 23934647
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 1018550
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3532031
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185237
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 6460335
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-nitrobenzamide
CID 1340129
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 73254656
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 2285383

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide (CID 1215864) is N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide?
The InChIKey is BKHPPOBMRIZLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-17(22-24-19-7-3-4-9-20(19)27-22)6-5-8-18(14)23-21(25)15-10-12-16(26-2)13-11-15/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide?
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide is sourced from PubChem (CID 1215864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).