2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one

C24H22N2O4 — CID 25449437

IUPAC2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)O1
InChIInChI=1S/C24H22N2O4/c1-24(2)13-16(27)12-21(29-24)23(28)26-11-10-20-19(14-26)22(25-30-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyLHXVQBVBYZELFS-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.03
Rot. Bonds2

About 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one

2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one (PubChem CID 25449437) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one
PubChem CID25449437
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)O1
InChIInChI=1S/C24H22N2O4/c1-24(2)13-16(27)12-21(29-24)23(28)26-11-10-20-19(14-26)22(25-30-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyLHXVQBVBYZELFS-UHFFFAOYSA-N
XLogP4.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one?
The IUPAC name of 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one (CID 25449437) is 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one.
What is the SMILES notation for 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one?
The canonical SMILES for 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one is CC1(C)CC(=O)C=C(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)O1.
What is the InChIKey of 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one?
The InChIKey is LHXVQBVBYZELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-24(2)13-16(27)12-21(29-24)23(28)26-11-10-20-19(14-26)22(25-30-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one?
2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one has a molecular weight of 402.45 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one is sourced from PubChem (CID 25449437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).