(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone

C20H23N3O2S — CID 167840097

IUPAC(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)n2c1COCC2)N1CCC2(CCSC2)C1
InChIInChI=1S/C20H23N3O2S/c24-19(22-8-6-20(13-22)7-11-26-14-20)17-16-12-25-10-9-23(16)18(21-17)15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyJYIFOIZOAMQKOC-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.05
Rot. Bonds2

About (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone

(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 167840097) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID167840097
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)n2c1COCC2)N1CCC2(CCSC2)C1
InChIInChI=1S/C20H23N3O2S/c24-19(22-8-6-20(13-22)7-11-26-14-20)17-16-12-25-10-9-23(16)18(21-17)15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyJYIFOIZOAMQKOC-UHFFFAOYSA-N
XLogP3.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-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 (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone (CID 167840097) is (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone is O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CCC2(CCSC2)C1.
What is the InChIKey of (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is JYIFOIZOAMQKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(22-8-6-20(13-22)7-11-26-14-20)17-16-12-25-10-9-23(16)18(21-17)15-4-2-1-3-5-15/h1-5H,6-14H2.
What are the key properties of (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone?
(3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 369.49 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)-(2-thia-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 167840097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).