5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide

C24H24F3N5O4 — CID 143146386

About 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide

5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 143146386) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 143146386
• Molecular Formula: C24H24F3N5O4
• Molecular Weight: 503.48 g/mol
• Exact Mass: 503.18
• IUPAC Name: 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
• SMILES: COc1ccc(-c2nc(C(=O)NCC3(NC(=O)C4CC4)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12
• InChI: InChI=1S/C24H24F3N5O4/c1-35-15-6-4-14(13-5-7-17(24(25,26)27)30-18(13)15)22-31-19(16(10-28)36-22)21(34)29-11-23(8-9-23)32-20(33)12-2-3-12/h4-7,12H,2-3,8-11,28H2,1H3,(H,29,34)(H,32,33)
• InChIKey: WABPAVAURJJLAA-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 132.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.48
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (CID 143146386) is 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCC3(NC(=O)C4CC4)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12.

What is the InChIKey of 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is WABPAVAURJJLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4/c1-35-15-6-4-14(13-5-7-17(24(25,26)27)30-18(13)15)22-31-19(16(10-28)36-22)21(34)29-11-23(8-9-23)32-20(33)12-2-3-12/h4-7,12H,2-3,8-11,28H2,1H3,(H,29,34)(H,32,33).

What are the key properties of 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(aminomethyl)-N-[[1-(cyclopropanecarbonylamino)cyclopropyl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143146386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).