1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

C15H23N5O3 — CID 91768677

IUPAC1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCOCCc1noc(CN2CCCn3nc(C(C)O)cc3C2)n1
InChIInChI=1S/C15H23N5O3/c1-11(21)13-8-12-9-19(5-3-6-20(12)17-13)10-15-16-14(18-23-15)4-7-22-2/h8,11,21H,3-7,9-10H2,1-2H3
InChIKeyBEYSDNCEBOVPKI-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.91
Rot. Bonds6

About 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (PubChem CID 91768677) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
PubChem CID91768677
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCOCCc1noc(CN2CCCn3nc(C(C)O)cc3C2)n1
InChIInChI=1S/C15H23N5O3/c1-11(21)13-8-12-9-19(5-3-6-20(12)17-13)10-15-16-14(18-23-15)4-7-22-2/h8,11,21H,3-7,9-10H2,1-2H3
InChIKeyBEYSDNCEBOVPKI-UHFFFAOYSA-N
XLogP0.91
TPSA89.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The IUPAC name of 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (CID 91768677) is 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.
What is the SMILES notation for 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The canonical SMILES for 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is COCCc1noc(CN2CCCn3nc(C(C)O)cc3C2)n1.
What is the InChIKey of 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The InChIKey is BEYSDNCEBOVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-11(21)13-8-12-9-19(5-3-6-20(12)17-13)10-15-16-14(18-23-15)4-7-22-2/h8,11,21H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol has a molecular weight of 321.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is sourced from PubChem (CID 91768677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).