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

C19H25N3O3 — CID 111444896

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

N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 111444896) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 111444896
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CC(C)c1ccc(-c2noc(CCC(=O)NCC3(O)CCC3)n2)cc1
• InChI: InChI=1S/C19H25N3O3/c1-13(2)14-4-6-15(7-5-14)18-21-17(25-22-18)9-8-16(23)20-12-19(24)10-3-11-19/h4-7,13,24H,3,8-12H2,1-2H3,(H,20,23)
• InChIKey: GTMSEKWSUCQDGI-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 111444896) is N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

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

The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)c1ccc(-c2noc(CCC(=O)NCC3(O)CCC3)n2)cc1.

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

The InChIKey is GTMSEKWSUCQDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)14-4-6-15(7-5-14)18-21-17(25-22-18)9-8-16(23)20-12-19(24)10-3-11-19/h4-7,13,24H,3,8-12H2,1-2H3,(H,20,23).

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

N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-hydroxycyclobutyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 111444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).