(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

C22H21N5O3 — CID 99751410

IUPAC(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
SMILESCOc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(C)cc5C)n4)c3CO2)cc1
InChIInChI=1S/C22H21N5O3/c1-13-4-9-17(14(2)10-13)22-23-21(25-30-22)20-18-12-29-19(11-27(18)26-24-20)15-5-7-16(28-3)8-6-15/h4-10,19H,11-12H2,1-3H3/t19-/m0/s1
InChIKeyWKVWDAXILYLOAT-IBGZPJMESA-N
MW403.44 g/mol
LogP3.89
Rot. Bonds4

About (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

(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 (PubChem CID 99751410) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID99751410
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name(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
SMILESCOc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(C)cc5C)n4)c3CO2)cc1
InChIInChI=1S/C22H21N5O3/c1-13-4-9-17(14(2)10-13)22-23-21(25-30-22)20-18-12-29-19(11-27(18)26-24-20)15-5-7-16(28-3)8-6-15/h4-10,19H,11-12H2,1-3H3/t19-/m0/s1
InChIKeyWKVWDAXILYLOAT-IBGZPJMESA-N
XLogP3.89
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(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
(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
(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
(6R)-3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751415
(6S)-3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751413
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
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
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)-6-(4-methoxyphenyl)-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751393
(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
(6S)-6-(4-chlorophenyl)-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751643

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccc(C)cc5C)n4)c3CO2)cc1.
What is the InChIKey of (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?
The InChIKey is WKVWDAXILYLOAT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-4-9-17(14(2)10-13)22-23-21(25-30-22)20-18-12-29-19(11-27(18)26-24-20)15-5-7-16(28-3)8-6-15/h4-10,19H,11-12H2,1-3H3/t19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 403.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 99751410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).