1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C23H22F3N5O3 — CID 158945669

About 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 158945669) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 158945669
• Molecular Formula: C23H22F3N5O3
• Molecular Weight: 473.46 g/mol
• Exact Mass: 473.17
• IUPAC Name: 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
• SMILES: Cc1ccc(Nc2ccc(CNC(=O)C3(CC(=O)c4cnc(N)o4)CC3)nc2)c(C(F)(F)F)c1
• InChI: InChI=1S/C23H22F3N5O3/c1-13-2-5-17(16(8-13)23(24,25)26)31-15-4-3-14(28-11-15)10-29-20(33)22(6-7-22)9-18(32)19-12-30-21(27)34-19/h2-5,8,11-12,31H,6-7,9-10H2,1H3,(H2,27,30)(H,29,33)
• InChIKey: JKUFXROGQJVLPI-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 123.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.46
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 158945669) is 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is Cc1ccc(Nc2ccc(CNC(=O)C3(CC(=O)c4cnc(N)o4)CC3)nc2)c(C(F)(F)F)c1.

What is the InChIKey of 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is JKUFXROGQJVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-13-2-5-17(16(8-13)23(24,25)26)31-15-4-3-14(28-11-15)10-29-20(33)22(6-7-22)9-18(32)19-12-30-21(27)34-19/h2-5,8,11-12,31H,6-7,9-10H2,1H3,(H2,27,30)(H,29,33).

What are the key properties of 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-amino-1,3-oxazol-5-yl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158945669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).