methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate

C14H10N2O3 — CID 66864810

IUPACmethyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3cnccc3o2)cc1
InChIInChI=1S/C14H10N2O3/c1-18-14(17)10-4-2-9(3-5-10)13-16-11-8-15-7-6-12(11)19-13/h2-8H,1H3
InChIKeyTXTLHTXOYPDPDL-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.68
Rot. Bonds2

About methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate

methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate (PubChem CID 66864810) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate
PubChem CID66864810
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Namemethyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3cnccc3o2)cc1
InChIInChI=1S/C14H10N2O3/c1-18-14(17)10-4-2-9(3-5-10)13-16-11-8-15-7-6-12(11)19-13/h2-8H,1H3
InChIKeyTXTLHTXOYPDPDL-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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Related Compounds

methyl 4-furo[3,2-c]pyridin-2-ylbenzoate
CID 54351307
3,4-dimethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39349570
4-([1,3]oxazolo[4,5-c]pyridin-2-yl)-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 42610216
methyl 2-[4-(bromomethyl)phenyl]-1,3-benzoxazole-5-carboxylate
CID 23459189
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
methyl 4-(5-acetamido-6-amino-1,3-benzoxazol-2-yl)benzoate
CID 774869
5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 29127725
N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 39311457
[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]methylthiourea
CID 30031811
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 29139232
2-bromo-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39347163
2,5-dichloro-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39341655

Frequently Asked Questions

What is the IUPAC name of methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate?
The IUPAC name of methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate (CID 66864810) is methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate is COC(=O)c1ccc(-c2nc3cnccc3o2)cc1.
What is the InChIKey of methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate?
The InChIKey is TXTLHTXOYPDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-18-14(17)10-4-2-9(3-5-10)13-16-11-8-15-7-6-12(11)19-13/h2-8H,1H3.
What are the key properties of methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate?
methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate 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 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate is sourced from PubChem (CID 66864810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).