2-(dimethylamino)-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

C17H28N6O3 — CID 91764387

IUPAC2-(dimethylamino)-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
SMILESCOCCc1noc(CN2CCCn3nc(C(O)CN(C)C)cc3C2)n1
InChIInChI=1S/C17H28N6O3/c1-21(2)11-15(24)14-9-13-10-22(6-4-7-23(13)19-14)12-17-18-16(20-26-17)5-8-25-3/h9,15,24H,4-8,10-12H2,1-3H3
InChIKeyBPZYVOSVXXFGID-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.46
Rot. Bonds8

About 2-(dimethylamino)-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

2-(dimethylamino)-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 91764387) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(dimethylamino)-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 Name2-(dimethylamino)-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 CID91764387
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name2-(dimethylamino)-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
SMILESCOCCc1noc(CN2CCCn3nc(C(O)CN(C)C)cc3C2)n1
InChIInChI=1S/C17H28N6O3/c1-21(2)11-15(24)14-9-13-10-22(6-4-7-23(13)19-14)12-17-18-16(20-26-17)5-8-25-3/h9,15,24H,4-8,10-12H2,1-3H3
InChIKeyBPZYVOSVXXFGID-UHFFFAOYSA-N
XLogP0.46
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(dimethylamino)-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 2-(dimethylamino)-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 2-(dimethylamino)-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 91764387) is 2-(dimethylamino)-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 2-(dimethylamino)-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 2-(dimethylamino)-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(O)CN(C)C)cc3C2)n1.
What is the InChIKey of 2-(dimethylamino)-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 BPZYVOSVXXFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-21(2)11-15(24)14-9-13-10-22(6-4-7-23(13)19-14)12-17-18-16(20-26-17)5-8-25-3/h9,15,24H,4-8,10-12H2,1-3H3.
What are the key properties of 2-(dimethylamino)-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?
2-(dimethylamino)-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 364.45 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-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 91764387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).