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

C17H19N5O3 — CID 99744100

IUPAC(6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc([C@@H]2Cn3nnc(-c4nc(C(C)C)no4)c3CO2)cc1
InChIInChI=1S/C17H19N5O3/c1-10(2)16-18-17(25-20-16)15-13-9-24-14(8-22(13)21-19-15)11-4-6-12(23-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyCPTOSOSNMKYWCK-AWEZNQCLSA-N
MW341.37 g/mol
LogP2.73
Rot. Bonds4

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

(6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 99744100) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID99744100
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCOc1ccc([C@@H]2Cn3nnc(-c4nc(C(C)C)no4)c3CO2)cc1
InChIInChI=1S/C17H19N5O3/c1-10(2)16-18-17(25-20-16)15-13-9-24-14(8-22(13)21-19-15)11-4-6-12(23-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3/t14-/m0/s1
InChIKeyCPTOSOSNMKYWCK-AWEZNQCLSA-N
XLogP2.73
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-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)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 99744100) is (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is COc1ccc([C@@H]2Cn3nnc(-c4nc(C(C)C)no4)c3CO2)cc1.
What is the InChIKey of (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is CPTOSOSNMKYWCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(2)16-18-17(25-20-16)15-13-9-24-14(8-22(13)21-19-15)11-4-6-12(23-3)7-5-11/h4-7,10,14H,8-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
(6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 341.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-methoxyphenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 99744100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).