2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

C14H21N3O2 — CID 79097601

About 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79097601) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

• Compound Name: 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
• PubChem CID: 79097601
• Molecular Formula: C14H21N3O2
• Molecular Weight: 263.34 g/mol
• Exact Mass: 263.16
• IUPAC Name: 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
• SMILES: CC(C)c1noc(Cn2ccc(C(O)C(C)C)c2)n1
• InChI: InChI=1S/C14H21N3O2/c1-9(2)13(18)11-5-6-17(7-11)8-12-15-14(10(3)4)16-19-12/h5-7,9-10,13,18H,8H2,1-4H3
• InChIKey: WKSLUQPZRMNPKJ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.34
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?

The IUPAC name of 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79097601) is 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.

What is the SMILES notation for 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?

The canonical SMILES for 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is CC(C)c1noc(Cn2ccc(C(O)C(C)C)c2)n1.

What is the InChIKey of 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?

The InChIKey is WKSLUQPZRMNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)13(18)11-5-6-17(7-11)8-12-15-14(10(3)4)16-19-12/h5-7,9-10,13,18H,8H2,1-4H3.

What are the key properties of 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?

2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).