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

C19H17N5O2S — CID 99751677

IUPAC(6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCc1ccc([C@H]2Cn3nnc(-c4noc(-c5sccc5C)n4)c3CO2)cc1
InChIInChI=1S/C19H17N5O2S/c1-11-3-5-13(6-4-11)15-9-24-14(10-25-15)16(21-23-24)18-20-19(26-22-18)17-12(2)7-8-27-17/h3-8,15H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyJCZRZHZJPBEHKL-OAHLLOKOSA-N
MW379.45 g/mol
LogP3.94
Rot. Bonds3

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

(6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 99751677) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID99751677
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name(6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCc1ccc([C@H]2Cn3nnc(-c4noc(-c5sccc5C)n4)c3CO2)cc1
InChIInChI=1S/C19H17N5O2S/c1-11-3-5-13(6-4-11)15-9-24-14(10-25-15)16(21-23-24)18-20-19(26-22-18)17-12(2)7-8-27-17/h3-8,15H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyJCZRZHZJPBEHKL-OAHLLOKOSA-N
XLogP3.94
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

(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
(6S)-6-(4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751484
6-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891573
(6R)-3-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751410
(6R)-3-[5-(2-chloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751691
3-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891512
(6R)-3-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751708
6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891576
6-(4-ethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889397
(6S)-6-(4-methylphenyl)-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751729
6-(4-methoxyphenyl)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891557
1-[4-[3-[(6S)-6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 99751731

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 99751677) is (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-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 (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-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(-c5sccc5C)n4)c3CO2)cc1.
What is the InChIKey of (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is JCZRZHZJPBEHKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-11-3-5-13(6-4-11)15-9-24-14(10-25-15)16(21-23-24)18-20-19(26-22-18)17-12(2)7-8-27-17/h3-8,15H,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
(6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 379.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-methylphenyl)-3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 99751677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).