2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

C18H23N5O2 — CID 130377122

IUPAC2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESc1cc2c(cc1CN1CCN(c3nc4n(n3)CCOC4)CC1)OCC2
InChIInChI=1S/C18H23N5O2/c1-2-15-3-9-25-16(15)11-14(1)12-21-4-6-22(7-5-21)18-19-17-13-24-10-8-23(17)20-18/h1-2,11H,3-10,12-13H2
InChIKeyLCPATHZYJJYQNT-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.07
Rot. Bonds3

About 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine

2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (PubChem CID 130377122) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
PubChem CID130377122
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
SMILESc1cc2c(cc1CN1CCN(c3nc4n(n3)CCOC4)CC1)OCC2
InChIInChI=1S/C18H23N5O2/c1-2-15-3-9-25-16(15)11-14(1)12-21-4-6-22(7-5-21)18-19-17-13-24-10-8-23(17)20-18/h1-2,11H,3-10,12-13H2
InChIKeyLCPATHZYJJYQNT-UHFFFAOYSA-N
XLogP1.07
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

CID 167102161
CID 167102161
1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
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1-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-(5-methylsulfonyl-3-pyridinyl)piperazine
CID 166989734
[6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-3-pyridinyl]-methyl-methylimino-λ4-sulfane
CID 142413978
3-[4-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]pyrazol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 130376972
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175650328
1-[2-[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 130376924
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 35905340

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine (CID 130377122) is 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is c1cc2c(cc1CN1CCN(c3nc4n(n3)CCOC4)CC1)OCC2.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
The InChIKey is LCPATHZYJJYQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-15-3-9-25-16(15)11-14(1)12-21-4-6-22(7-5-21)18-19-17-13-24-10-8-23(17)20-18/h1-2,11H,3-10,12-13H2.
What are the key properties of 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine?
2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine has a molecular weight of 341.42 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 130377122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).