methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate

C14H10N2O3 — CID 66621160

IUPACmethyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate
SMILESCOC(=O)c1cccc2nc(-c3cccnc3)oc12
InChIInChI=1S/C14H10N2O3/c1-18-14(17)10-5-2-6-11-12(10)19-13(16-11)9-4-3-7-15-8-9/h2-8H,1H3
InChIKeyBTFAJPKZWKBRBP-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.68
Rot. Bonds2

About methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate

methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate (PubChem CID 66621160) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate
PubChem CID66621160
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Namemethyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate
SMILESCOC(=O)c1cccc2nc(-c3cccnc3)oc12
InChIInChI=1S/C14H10N2O3/c1-18-14(17)10-5-2-6-11-12(10)19-13(16-11)9-4-3-7-15-8-9/h2-8H,1H3
InChIKeyBTFAJPKZWKBRBP-UHFFFAOYSA-N
XLogP2.68
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate?
The IUPAC name of methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate (CID 66621160) is methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate.
What is the SMILES notation for methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate?
The canonical SMILES for methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate is COC(=O)c1cccc2nc(-c3cccnc3)oc12.
What is the InChIKey of methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate?
The InChIKey is BTFAJPKZWKBRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-18-14(17)10-5-2-6-11-12(10)19-13(16-11)9-4-3-7-15-8-9/h2-8H,1H3.
What are the key properties of methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate?
methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-3-yl-1,3-benzoxazole-7-carboxylate is sourced from PubChem (CID 66621160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).