methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate

C14H11N3O3 — CID 134459927

IUPACmethyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate
SMILESCOC(=O)c1cccc(Nc2nc3ncccc3o2)c1
InChIInChI=1S/C14H11N3O3/c1-19-13(18)9-4-2-5-10(8-9)16-14-17-12-11(20-14)6-3-7-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyXQUKLBLVDOEVBL-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.75
Rot. Bonds3

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

methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate (PubChem CID 134459927) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate
PubChem CID134459927
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namemethyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate
SMILESCOC(=O)c1cccc(Nc2nc3ncccc3o2)c1
InChIInChI=1S/C14H11N3O3/c1-19-13(18)9-4-2-5-10(8-9)16-14-17-12-11(20-14)6-3-7-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyXQUKLBLVDOEVBL-UHFFFAOYSA-N
XLogP2.75
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
CID 143301248
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-(4-pyridin-3-ylanilino)benzoate
CID 164589559
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951
methyl 3-[[4-(3-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220998
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
methyl 3-[[6-(4-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878840
methyl 3-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109201433
methyl 3-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoate
CID 23412186

Frequently Asked Questions

What is the IUPAC name of methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate?
The IUPAC name of methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate (CID 134459927) is methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate.
What is the SMILES notation for methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate?
The canonical SMILES for methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate is COC(=O)c1cccc(Nc2nc3ncccc3o2)c1.
What is the InChIKey of methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate?
The InChIKey is XQUKLBLVDOEVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-19-13(18)9-4-2-5-10(8-9)16-14-17-12-11(20-14)6-3-7-15-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate?
methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate has a molecular weight of 269.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)benzoate is sourced from PubChem (CID 134459927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).