ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate

C18H16N2O4 — CID 110388051

IUPACethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H16N2O4/c1-3-23-18(22)12-4-7-14(8-5-12)20-17(21)13-6-9-16-15(10-13)19-11(2)24-16/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyKEERNWQGXFTSKS-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.57
Rot. Bonds4

About ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate

ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate (PubChem CID 110388051) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
PubChem CID110388051
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H16N2O4/c1-3-23-18(22)12-4-7-14(8-5-12)20-17(21)13-6-9-16-15(10-13)19-11(2)24-16/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyKEERNWQGXFTSKS-UHFFFAOYSA-N
XLogP3.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 7113437
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 2-bromo-1,3-benzoxazole-5-carboxylate
CID 131612632
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
3-hydroxypropyl 2-methyl-1,3-benzoxazole-5-carboxylate
CID 116863070
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate (CID 110388051) is ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate?
The InChIKey is KEERNWQGXFTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-23-18(22)12-4-7-14(8-5-12)20-17(21)13-6-9-16-15(10-13)19-11(2)24-16/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate?
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate has a molecular weight of 324.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 110388051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).