methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate

C15H12N2O3 — CID 4316568

IUPACmethyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C15H12N2O3/c1-19-14(18)8-10-4-5-13-12(7-10)17-15(20-13)11-3-2-6-16-9-11/h2-7,9H,8H2,1H3
InChIKeyOUSZKUMKCHJTCZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate

methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate (PubChem CID 4316568) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate
PubChem CID4316568
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namemethyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C15H12N2O3/c1-19-14(18)8-10-4-5-13-12(7-10)17-15(20-13)11-3-2-6-16-9-11/h2-7,9H,8H2,1H3
InChIKeyOUSZKUMKCHJTCZ-UHFFFAOYSA-N
XLogP2.61
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate (CID 4316568) is methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate is COC(=O)Cc1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate?
The InChIKey is OUSZKUMKCHJTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-14(18)8-10-4-5-13-12(7-10)17-15(20-13)11-3-2-6-16-9-11/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate?
methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate has a molecular weight of 268.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetate is sourced from PubChem (CID 4316568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).