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

C13H19N5O3 — CID 91771544

IUPAC[5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCOCc1noc(CN2CCCn3nc(CO)cc3C2)n1
InChIInChI=1S/C13H19N5O3/c1-20-9-12-14-13(21-16-12)7-17-3-2-4-18-11(6-17)5-10(8-19)15-18/h5,19H,2-4,6-9H2,1H3
InChIKeySDVWLUPUNZFYCD-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.31
Rot. Bonds5

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

[5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 91771544) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID91771544
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name[5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCOCc1noc(CN2CCCn3nc(CO)cc3C2)n1
InChIInChI=1S/C13H19N5O3/c1-20-9-12-14-13(21-16-12)7-17-3-2-4-18-11(6-17)5-10(8-19)15-18/h5,19H,2-4,6-9H2,1H3
InChIKeySDVWLUPUNZFYCD-UHFFFAOYSA-N
XLogP0.31
TPSA89.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The IUPAC name of [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 91771544) is [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.
What is the SMILES notation for [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The canonical SMILES for [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is COCc1noc(CN2CCCn3nc(CO)cc3C2)n1.
What is the InChIKey of [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is SDVWLUPUNZFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-20-9-12-14-13(21-16-12)7-17-3-2-4-18-11(6-17)5-10(8-19)15-18/h5,19H,2-4,6-9H2,1H3.
What are the key properties of [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
[5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol has a molecular weight of 293.33 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is sourced from PubChem (CID 91771544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).