N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide

C23H25N5O4 — CID 155881164

About N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide

N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide (PubChem CID 155881164) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide
• PubChem CID: 155881164
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide
• SMILES: COC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3cc(Cn4cc(C)cn4)on3)C2)CC1
• InChI: InChI=1S/C23H25N5O4/c1-16-11-24-28(12-16)13-18-10-19(26-32-18)21(30)27-14-22(15-27,23(31-2)8-9-23)25-20(29)17-6-4-3-5-7-17/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,25,29)
• InChIKey: ALFWNQCGCFDBON-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 102.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide?

The IUPAC name of N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide (CID 155881164) is N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide.

What is the SMILES notation for N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide?

The canonical SMILES for N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide is COC1(C2(NC(=O)c3ccccc3)CN(C(=O)c3cc(Cn4cc(C)cn4)on3)C2)CC1.

What is the InChIKey of N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide?

The InChIKey is ALFWNQCGCFDBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-16-11-24-28(12-16)13-18-10-19(26-32-18)21(30)27-14-22(15-27,23(31-2)8-9-23)25-20(29)17-6-4-3-5-7-17/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,25,29).

What are the key properties of N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide?

N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide has a molecular weight of 435.48 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1-methoxycyclopropyl)-1-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]azetidin-3-yl]benzamide is sourced from PubChem (CID 155881164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).