methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate

C23H18N2O6 — CID 25157807

IUPACmethyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3cccc(OC)c3NC(=O)c3ccccc3O)nc12
InChIInChI=1S/C23H18N2O6/c1-29-17-11-5-8-14(19(17)24-21(27)13-7-3-4-10-16(13)26)22-25-20-15(23(28)30-2)9-6-12-18(20)31-22/h3-12,26H,1-2H3,(H,24,27)
InChIKeyIFQOICGFVARNPD-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate

methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate (PubChem CID 25157807) has the molecular formula C23H18N2O6 and a molecular weight of 418.41 g/mol. Its IUPAC name is methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate
PubChem CID25157807
Molecular FormulaC23H18N2O6
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC Namemethyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate
SMILESCOC(=O)c1cccc2oc(-c3cccc(OC)c3NC(=O)c3ccccc3O)nc12
InChIInChI=1S/C23H18N2O6/c1-29-17-11-5-8-14(19(17)24-21(27)13-7-3-4-10-16(13)26)22-25-20-15(23(28)30-2)9-6-12-18(20)31-22/h3-12,26H,1-2H3,(H,24,27)
InChIKeyIFQOICGFVARNPD-UHFFFAOYSA-N
XLogP4.25
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(2-acetamidophenyl)-1,3-benzoxazole-4-carboxylate
CID 122374310
2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid
CID 25158920
methyl 2-(2-butoxyphenyl)-1,3-benzoxazole-4-carboxylate
CID 122415167
methyl 2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
CID 122415158
2-(2-benzamido-3-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158661
methyl 2-[2-(furan-3-yl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
CID 122413219
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 25158397
methyl 2-[2-amino-3-[1-(4-benzyl-2-hydroxyphenyl)ethenoxy]phenyl]-1,3-benzoxazole-4-carboxylate
CID 89323984
methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762
methyl 2-ethyl-1,3-benzoxazole-4-carboxylate
CID 59625681
methyl 4-methoxy-1,3-benzoxazole-2-carboxylate
CID 135000177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate (CID 25157807) is methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate is COC(=O)c1cccc2oc(-c3cccc(OC)c3NC(=O)c3ccccc3O)nc12.
What is the InChIKey of methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate?
The InChIKey is IFQOICGFVARNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6/c1-29-17-11-5-8-14(19(17)24-21(27)13-7-3-4-10-16(13)26)22-25-20-15(23(28)30-2)9-6-12-18(20)31-22/h3-12,26H,1-2H3,(H,24,27).
What are the key properties of methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate?
methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate has a molecular weight of 418.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 25157807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).