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

C23H23N5O4 — CID 99744235

IUPAC(6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(C)cc3C)C4)n2)c(OC)c1
InChIInChI=1S/C23H23N5O4/c1-13-5-7-16(14(2)9-13)20-11-28-18(12-31-20)21(25-27-28)23-24-22(26-32-23)17-8-6-15(29-3)10-19(17)30-4/h5-10,20H,11-12H2,1-4H3/t20-/m0/s1
InChIKeyVTGPZUZAZYHMAO-FQEVSTJZSA-N
MW433.47 g/mol
LogP3.90
Rot. Bonds5

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

(6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 99744235) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID99744235
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name(6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(C)cc3C)C4)n2)c(OC)c1
InChIInChI=1S/C23H23N5O4/c1-13-5-7-16(14(2)9-13)20-11-28-18(12-31-20)21(25-27-28)23-24-22(26-32-23)17-8-6-15(29-3)10-19(17)30-4/h5-10,20H,11-12H2,1-4H3/t20-/m0/s1
InChIKeyVTGPZUZAZYHMAO-FQEVSTJZSA-N
XLogP3.90
TPSA97.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 99744235) is (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(C)cc3C)C4)n2)c(OC)c1.
What is the InChIKey of (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is VTGPZUZAZYHMAO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-13-5-7-16(14(2)9-13)20-11-28-18(12-31-20)21(25-27-28)23-24-22(26-32-23)17-8-6-15(29-3)10-19(17)30-4/h5-10,20H,11-12H2,1-4H3/t20-/m0/s1.
What are the key properties of (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
(6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 433.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 99744235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).