5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane

C34H37F4N7O5 — CID 144949378

About 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane

5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane (PubChem CID 144949378) has the molecular formula C34H37F4N7O5 and a molecular weight of 699.71 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane.

Molecular Properties

• Compound Name: 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane
• PubChem CID: 144949378
• Molecular Formula: C34H37F4N7O5
• Molecular Weight: 699.71 g/mol
• Exact Mass: 699.28
• IUPAC Name: 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane
• SMILES: CC.NCc1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1F
• InChI: InChI=1S/C32H31F4N7O5.C2H6/c33-20-5-6-21(22(34)15-20)26(30(45)42-10-12-43(13-11-42)32-38-8-1-9-39-32)40-28(44)27-25(16-37)47-29(41-27)19-4-7-23(48-31(35)36)24(14-19)46-17-18-2-3-18;1-2/h1,4-9,14-15,18,26,31H,2-3,10-13,16-17,37H2,(H,40,44);1-2H3
• InChIKey: CFLYZUQHJLLKOT-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 148.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.71
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane?

The IUPAC name of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane (CID 144949378) is 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane.

What is the SMILES notation for 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane?

The canonical SMILES for 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane is CC.NCc1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1F.

What is the InChIKey of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane?

The InChIKey is CFLYZUQHJLLKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N7O5.C2H6/c33-20-5-6-21(22(34)15-20)26(30(45)42-10-12-43(13-11-42)32-38-8-1-9-39-32)40-28(44)27-25(16-37)47-29(41-27)19-4-7-23(48-31(35)36)24(14-19)46-17-18-2-3-18;1-2/h1,4-9,14-15,18,26,31H,2-3,10-13,16-17,37H2,(H,40,44);1-2H3.

What are the key properties of 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane?

5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane has a molecular weight of 699.71 g/mol, XLogP of 5.10, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide;ethane is sourced from PubChem (CID 144949378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).