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

C22H21N5O4 — CID 91891551

IUPAC6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc(C2Cn3nnc(-c4noc(Cc5ccccc5OC)n4)c3CO2)cc1
InChIInChI=1S/C22H21N5O4/c1-28-16-9-7-14(8-10-16)19-12-27-17(13-30-19)21(24-26-27)22-23-20(31-25-22)11-15-5-3-4-6-18(15)29-2/h3-10,19H,11-13H2,1-2H3
InChIKeyRYHIYVWPHYMERH-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.21
Rot. Bonds6

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

6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91891551) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91891551
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc(C2Cn3nnc(-c4noc(Cc5ccccc5OC)n4)c3CO2)cc1
InChIInChI=1S/C22H21N5O4/c1-28-16-9-7-14(8-10-16)19-12-27-17(13-30-19)21(24-26-27)22-23-20(31-25-22)11-15-5-3-4-6-18(15)29-2/h3-10,19H,11-13H2,1-2H3
InChIKeyRYHIYVWPHYMERH-UHFFFAOYSA-N
XLogP3.21
TPSA97.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-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

(6S)-6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99758897
6-(4-chlorophenyl)-3-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891482
(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-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891576
(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-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891573
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
(6S)-6-(4-chlorophenyl)-3-[5-[2-(3-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99758894
(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)-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
(6S)-6-(4-fluorophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99743992

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91891551) is 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is COc1ccc(C2Cn3nnc(-c4noc(Cc5ccccc5OC)n4)c3CO2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is RYHIYVWPHYMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-28-16-9-7-14(8-10-16)19-12-27-17(13-30-19)21(24-26-27)22-23-20(31-25-22)11-15-5-3-4-6-18(15)29-2/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 419.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91891551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).