3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine

C12H10N2O — CID 140592211

IUPAC3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(N2COc3cccnc32)cc1
InChIInChI=1S/C12H10N2O/c1-2-5-10(6-3-1)14-9-15-11-7-4-8-13-12(11)14/h1-8H,9H2
InChIKeyPUPAQKBYWOQSBK-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.57
Rot. Bonds1

About 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine

3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 140592211) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
PubChem CID140592211
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(N2COc3cccnc32)cc1
InChIInChI=1S/C12H10N2O/c1-2-5-10(6-3-1)14-9-15-11-7-4-8-13-12(11)14/h1-8H,9H2
InChIKeyPUPAQKBYWOQSBK-UHFFFAOYSA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 102380136
4-[4-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)phenyl]pyridine-2-carbonitrile
CID 177019317
1-phenyl-2,3-dihydroimidazo[4,5-b]pyridine
CID 139666855
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
1-phenyl-3-phenylsulfanyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 19800209
6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid
CID 172800429
[1,3]dioxolo[4,5-b]pyridine
CID 12563079
4-(2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 3070862
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one
CID 58346308
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72874580
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-5-methyl-5-(3-phenylprop-2-enyl)-1,3-thiazol-4-one
CID 76768675

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine (CID 140592211) is 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine is c1ccc(N2COc3cccnc32)cc1.
What is the InChIKey of 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is PUPAQKBYWOQSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-5-10(6-3-1)14-9-15-11-7-4-8-13-12(11)14/h1-8H,9H2.
What are the key properties of 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine?
3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 198.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 140592211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).