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

C14H14N2O3 — CID 139236460

IUPAC4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3onc(C)c32)cc1
InChIInChI=1S/C14H14N2O3/c1-8-13-11(7-12(17)15-14(13)19-16-8)9-3-5-10(18-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,15,17)
InChIKeyOCNPQLDUYUHZJO-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.47
Rot. Bonds2

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

4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one (PubChem CID 139236460) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one
PubChem CID139236460
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3onc(C)c32)cc1
InChIInChI=1S/C14H14N2O3/c1-8-13-11(7-12(17)15-14(13)19-16-8)9-3-5-10(18-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,15,17)
InChIKeyOCNPQLDUYUHZJO-UHFFFAOYSA-N
XLogP2.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one (CID 139236460) is 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one is COc1ccc(C2CC(=O)Nc3onc(C)c32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
The InChIKey is OCNPQLDUYUHZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-13-11(7-12(17)15-14(13)19-16-8)9-3-5-10(18-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,15,17).
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one?
4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one has a molecular weight of 258.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 139236460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).