N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

C19H26N4O3 — CID 125445358

About N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (PubChem CID 125445358) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
• PubChem CID: 125445358
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
• SMILES: COc1ccc2oc(CNC(=O)N3CC(N4CCCC[C@@H]4C)C3)nc2c1
• InChI: InChI=1S/C19H26N4O3/c1-13-5-3-4-8-23(13)14-11-22(12-14)19(24)20-10-18-21-16-9-15(25-2)6-7-17(16)26-18/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3,(H,20,24)/t13-/m0/s1
• InChIKey: JZYWSHSERMDKFS-ZDUSSCGKSA-N
• XLogP: 2.60
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?

The IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide (CID 125445358) is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide.

What is the SMILES notation for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?

The canonical SMILES for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is COc1ccc2oc(CNC(=O)N3CC(N4CCCC[C@@H]4C)C3)nc2c1.

What is the InChIKey of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?

The InChIKey is JZYWSHSERMDKFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-5-3-4-8-23(13)14-11-22(12-14)19(24)20-10-18-21-16-9-15(25-2)6-7-17(16)26-18/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3,(H,20,24)/t13-/m0/s1.

What are the key properties of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide?

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 125445358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).