1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate

C17H14N2O4 — CID 40734432

IUPAC1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1nc2ccccc2o1
InChIInChI=1S/C17H14N2O4/c20-16(10-18-17(21)12-6-2-1-3-7-12)22-11-15-19-13-8-4-5-9-14(13)23-15/h1-9H,10-11H2,(H,18,21)
InChIKeyRHLAQGCMUOKJPC-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.30
Rot. Bonds5

About 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate

1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate (PubChem CID 40734432) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate
PubChem CID40734432
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1nc2ccccc2o1
InChIInChI=1S/C17H14N2O4/c20-16(10-18-17(21)12-6-2-1-3-7-12)22-11-15-19-13-8-4-5-9-14(13)23-15/h1-9H,10-11H2,(H,18,21)
InChIKeyRHLAQGCMUOKJPC-UHFFFAOYSA-N
XLogP2.30
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 9458118
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133
1,3-benzoxazol-2-ylmethyl 4-[(2-amino-2-oxoethyl)amino]benzoate
CID 71938022
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
1,3-benzoxazol-2-ylmethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 40763818
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
1,3-benzoxazol-2-ylmethyl 4-(dimethylamino)benzoate
CID 9325069
1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
CID 40735475
1,3-benzoxazol-2-ylmethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate
CID 39813555
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate?
The IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate (CID 40734432) is 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate?
The canonical SMILES for 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1nc2ccccc2o1.
What is the InChIKey of 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate?
The InChIKey is RHLAQGCMUOKJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-16(10-18-17(21)12-6-2-1-3-7-12)22-11-15-19-13-8-4-5-9-14(13)23-15/h1-9H,10-11H2,(H,18,21).
What are the key properties of 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate?
1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate has a molecular weight of 310.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate is sourced from PubChem (CID 40734432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).