3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one

C13H12N2O3 — CID 46904972

IUPAC3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccccc1-c1noc2c1C(=O)NCC2
InChIInChI=1S/C13H12N2O3/c1-17-9-5-3-2-4-8(9)12-11-10(18-15-12)6-7-14-13(11)16/h2-5H,6-7H2,1H3,(H,14,16)
InChIKeyMEQBAKIYMAMQHJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.64
Rot. Bonds2

About 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one

3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 46904972) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID46904972
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccccc1-c1noc2c1C(=O)NCC2
InChIInChI=1S/C13H12N2O3/c1-17-9-5-3-2-4-8(9)12-11-10(18-15-12)6-7-14-13(11)16/h2-5H,6-7H2,1H3,(H,14,16)
InChIKeyMEQBAKIYMAMQHJ-UHFFFAOYSA-N
XLogP1.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-6-methyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 135491345
(13E)-10,11-dimethoxy-13-trimethylsilyl-7,8-dihydro-6H-benzo[e][2]benzazecin-5-one
CID 10948938
3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
CID 3545771
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
CID 132514539
3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7446909
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
3-(2-methoxyphenyl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3970333
4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 79023920
[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3686497
N-[3-(2-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67197593
8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 86723714

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 46904972) is 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one is COc1ccccc1-c1noc2c1C(=O)NCC2.
What is the InChIKey of 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is MEQBAKIYMAMQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-9-5-3-2-4-8(9)12-11-10(18-15-12)6-7-14-13(11)16/h2-5H,6-7H2,1H3,(H,14,16).
What are the key properties of 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one?
3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 244.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6,7-dihydro-5H-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 46904972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).