[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone

C14H21N3O2 — CID 110138821

IUPAC[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cnco1
InChIInChI=1S/C14H21N3O2/c1-14-6-4-7-16(2)12(14)5-3-8-17(14)13(18)11-9-15-10-19-11/h9-10,12H,3-8H2,1-2H3/t12-,14-/m0/s1
InChIKeyLZEBZQQWJWOOGY-JSGCOSHPSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds1

About [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone

[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 110138821) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID110138821
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cnco1
InChIInChI=1S/C14H21N3O2/c1-14-6-4-7-16(2)12(14)5-3-8-17(14)13(18)11-9-15-10-19-11/h9-10,12H,3-8H2,1-2H3/t12-,14-/m0/s1
InChIKeyLZEBZQQWJWOOGY-JSGCOSHPSA-N
XLogP1.76
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone 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 [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 110138821) is [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone is CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cnco1.
What is the InChIKey of [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is LZEBZQQWJWOOGY-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14-6-4-7-16(2)12(14)5-3-8-17(14)13(18)11-9-15-10-19-11/h9-10,12H,3-8H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone?
[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110138821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).