(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol

C15H24N6O2 — CID 98765727

About (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 98765727) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
• PubChem CID: 98765727
• Molecular Formula: C15H24N6O2
• Molecular Weight: 320.40 g/mol
• Exact Mass: 320.20
• IUPAC Name: (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
• SMILES: Cc1nc(CN2CCCN(C[C@@H](O)Cn3cccn3)CC2)no1
• InChI: InChI=1S/C15H24N6O2/c1-13-17-15(18-23-13)12-20-6-3-5-19(8-9-20)10-14(22)11-21-7-2-4-16-21/h2,4,7,14,22H,3,5-6,8-12H2,1H3/t14-/m1/s1
• InChIKey: GCIWCJOLLGIFHA-CQSZACIVSA-N
• XLogP: 0.14
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.40
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?

The IUPAC name of (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 98765727) is (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol.

What is the SMILES notation for (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?

The canonical SMILES for (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cc1nc(CN2CCCN(C[C@@H](O)Cn3cccn3)CC2)no1.

What is the InChIKey of (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?

The InChIKey is GCIWCJOLLGIFHA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-13-17-15(18-23-13)12-20-6-3-5-19(8-9-20)10-14(22)11-21-7-2-4-16-21/h2,4,7,14,22H,3,5-6,8-12H2,1H3/t14-/m1/s1.

What are the key properties of (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?

(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 320.40 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 98765727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).