(6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C18H15N5O2S — CID 99751734

IUPAC(6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccs5)n4)c3CO2)cc1
InChIInChI=1S/C18H15N5O2S/c1-11-4-6-12(7-5-11)14-9-23-13(10-24-14)16(20-22-23)17-19-18(25-21-17)15-3-2-8-26-15/h2-8,14H,9-10H2,1H3/t14-/m0/s1
InChIKeySKXPOXMSXORRPU-AWEZNQCLSA-N
MW365.42 g/mol
LogP3.64
Rot. Bonds3

About (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

(6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 99751734) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID99751734
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name(6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccs5)n4)c3CO2)cc1
InChIInChI=1S/C18H15N5O2S/c1-11-4-6-12(7-5-11)14-9-23-13(10-24-14)16(20-22-23)17-19-18(25-21-17)15-3-2-8-26-15/h2-8,14H,9-10H2,1H3/t14-/m0/s1
InChIKeySKXPOXMSXORRPU-AWEZNQCLSA-N
XLogP3.64
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine 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 (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 99751734) is (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is Cc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccs5)n4)c3CO2)cc1.
What is the InChIKey of (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is SKXPOXMSXORRPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-4-6-12(7-5-11)14-9-23-13(10-24-14)16(20-22-23)17-19-18(25-21-17)15-3-2-8-26-15/h2-8,14H,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
(6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 365.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 99751734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).