(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

C20H15ClFN5O2 — CID 99759035

IUPAC(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
SMILESFc1cccc(Cc2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1
InChIInChI=1S/C20H15ClFN5O2/c21-14-6-4-13(5-7-14)17-10-27-16(11-28-17)19(24-26-27)20-23-18(29-25-20)9-12-2-1-3-15(22)8-12/h1-8,17H,9-11H2/t17-/m0/s1
InChIKeyXJAAMNMAVJWCKQ-KRWDZBQOSA-N
MW411.82 g/mol
LogP3.98
Rot. Bonds4

About (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

(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 (PubChem CID 99759035) has the molecular formula C20H15ClFN5O2 and a molecular weight of 411.82 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID99759035
Molecular FormulaC20H15ClFN5O2
Molecular Weight411.82 g/mol
Exact Mass411.09
IUPAC Name(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
SMILESFc1cccc(Cc2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1
InChIInChI=1S/C20H15ClFN5O2/c21-14-6-4-13(5-7-14)17-10-27-16(11-28-17)19(24-26-27)20-23-18(29-25-20)9-12-2-1-3-15(22)8-12/h1-8,17H,9-11H2/t17-/m0/s1
InChIKeyXJAAMNMAVJWCKQ-KRWDZBQOSA-N
XLogP3.98
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

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
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
(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-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-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889310
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889343
(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
(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-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
6-(4-chlorophenyl)-3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91917157
(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-(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Fc1cccc(Cc2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)c1.
What is the InChIKey of (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?
The InChIKey is XJAAMNMAVJWCKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15ClFN5O2/c21-14-6-4-13(5-7-14)17-10-27-16(11-28-17)19(24-26-27)20-23-18(29-25-20)9-12-2-1-3-15(22)8-12/h1-8,17H,9-11H2/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 411.82 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 99759035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).