methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate

C22H16N2O4 — CID 23934647

IUPACmethyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H16N2O4/c1-27-22(26)15-12-10-14(11-13-15)20(25)23-17-7-3-2-6-16(17)21-24-18-8-4-5-9-19(18)28-21/h2-13H,1H3,(H,23,25)
InChIKeyRJHNSSPQZZTUKC-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.53
Rot. Bonds4

About methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate

methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate (PubChem CID 23934647) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
PubChem CID23934647
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Namemethyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1
InChIInChI=1S/C22H16N2O4/c1-27-22(26)15-12-10-14(11-13-15)20(25)23-17-7-3-2-6-16(17)21-24-18-8-4-5-9-19(18)28-21/h2-13H,1H3,(H,23,25)
InChIKeyRJHNSSPQZZTUKC-UHFFFAOYSA-N
XLogP4.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
CID 1215864
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-nitrobenzamide
CID 3364996
(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide
CID 135030644
4-nitro-N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3646590
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 4086369
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 1018550
methyl 2-(2-acetamidophenyl)-1,3-benzoxazole-4-carboxylate
CID 122374310
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
2-[2-(1,3-benzoxazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168610199
2-(1,3-benzoxazol-2-yl)-N-[[2-(1,3-benzoxazol-2-yl)anilino]-chlorophosphoryl]aniline
CID 25112701

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate (CID 23934647) is methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1.
What is the InChIKey of methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate?
The InChIKey is RJHNSSPQZZTUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-27-22(26)15-12-10-14(11-13-15)20(25)23-17-7-3-2-6-16(17)21-24-18-8-4-5-9-19(18)28-21/h2-13H,1H3,(H,23,25).
What are the key properties of methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate?
methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate has a molecular weight of 372.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 23934647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).