N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

C19H27ClN4O3 — CID 120944467

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 120944467) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• PubChem CID: 120944467
• Molecular Formula: C19H27ClN4O3
• Molecular Weight: 394.90 g/mol
• Exact Mass: 394.18
• IUPAC Name: N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
• SMILES: CC(C)c1ccc(-c2noc(CCC(=O)NCC3CNCC3O)n2)cc1.Cl
• InChI: InChI=1S/C19H26N4O3.ClH/c1-12(2)13-3-5-14(6-4-13)19-22-18(26-23-19)8-7-17(25)21-10-15-9-20-11-16(15)24;/h3-6,12,15-16,20,24H,7-11H2,1-2H3,(H,21,25);1H
• InChIKey: VEDUFDQCOJVRSD-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.90
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 120944467) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is CC(C)c1ccc(-c2noc(CCC(=O)NCC3CNCC3O)n2)cc1.Cl.

What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

The InChIKey is VEDUFDQCOJVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c1-12(2)13-3-5-14(6-4-13)19-22-18(26-23-19)8-7-17(25)21-10-15-9-20-11-16(15)24;/h3-6,12,15-16,20,24H,7-11H2,1-2H3,(H,21,25);1H.

What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 120944467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).