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

C20H25N5O2 — CID 91796384

IUPACphenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1noc(CN2CCCn3nc(C(O)c4ccccc4)cc3C2)n1
InChIInChI=1S/C20H25N5O2/c1-14(2)20-21-18(27-23-20)13-24-9-6-10-25-16(12-24)11-17(22-25)19(26)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,26H,6,9-10,12-13H2,1-2H3
InChIKeyXCZVMPXYXZFHMT-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.88
Rot. Bonds5

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

phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 91796384) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID91796384
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Namephenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1noc(CN2CCCn3nc(C(O)c4ccccc4)cc3C2)n1
InChIInChI=1S/C20H25N5O2/c1-14(2)20-21-18(27-23-20)13-24-9-6-10-25-16(12-24)11-17(22-25)19(26)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,26H,6,9-10,12-13H2,1-2H3
InChIKeyXCZVMPXYXZFHMT-UHFFFAOYSA-N
XLogP2.88
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[5-[(3-propan-2-yl-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 phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 91796384) is phenyl-[5-[(3-propan-2-yl-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 phenyl-[5-[(3-propan-2-yl-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 phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is CC(C)c1noc(CN2CCCn3nc(C(O)c4ccccc4)cc3C2)n1.
What is the InChIKey of phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is XCZVMPXYXZFHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(2)20-21-18(27-23-20)13-24-9-6-10-25-16(12-24)11-17(22-25)19(26)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,26H,6,9-10,12-13H2,1-2H3.
What are the key properties of phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
phenyl-[5-[(3-propan-2-yl-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 367.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-[(3-propan-2-yl-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 91796384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).