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

C20H15Cl2N5O2 — CID 91891482

IUPAC6-(4-chlorophenyl)-3-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESClc1ccc(C2Cn3nnc(-c4noc(Cc5ccccc5Cl)n4)c3CO2)cc1
InChIInChI=1S/C20H15Cl2N5O2/c21-14-7-5-12(6-8-14)17-10-27-16(11-28-17)19(24-26-27)20-23-18(29-25-20)9-13-3-1-2-4-15(13)22/h1-8,17H,9-11H2
InChIKeyXEOAZTVYELWLOJ-UHFFFAOYSA-N
MW428.28 g/mol
LogP4.50
Rot. Bonds4

About 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

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 (PubChem CID 91891482) has the molecular formula C20H15Cl2N5O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91891482
Molecular FormulaC20H15Cl2N5O2
Molecular Weight428.28 g/mol
Exact Mass427.06
IUPAC Name6-(4-chlorophenyl)-3-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESClc1ccc(C2Cn3nnc(-c4noc(Cc5ccccc5Cl)n4)c3CO2)cc1
InChIInChI=1S/C20H15Cl2N5O2/c21-14-7-5-12(6-8-14)17-10-27-16(11-28-17)19(24-26-27)20-23-18(29-25-20)9-13-3-1-2-4-15(13)22/h1-8,17H,9-11H2
InChIKeyXEOAZTVYELWLOJ-UHFFFAOYSA-N
XLogP4.50
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

(6R)-6-(4-chlorophenyl)-3-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99759035
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
(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
(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
6-(4-chlorophenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889310
(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
(6R)-6-(4-chlorophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99743937
(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
6-(4-chlorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91917154
6-(4-chlorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889316
(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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1ccc(C2Cn3nnc(-c4noc(Cc5ccccc5Cl)n4)c3CO2)cc1.
What is the InChIKey of 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?
The InChIKey is XEOAZTVYELWLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O2/c21-14-7-5-12(6-8-14)17-10-27-16(11-28-17)19(24-26-27)20-23-18(29-25-20)9-13-3-1-2-4-15(13)22/h1-8,17H,9-11H2.
What are the key properties of 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?
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 has a molecular weight of 428.28 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91891482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).