5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide

C19H18ClF3N4O4 — CID 155262222

About 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide

5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 155262222) has the molecular formula C19H18ClF3N4O4 and a molecular weight of 458.82 g/mol. Its IUPAC name is 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide
• PubChem CID: 155262222
• Molecular Formula: C19H18ClF3N4O4
• Molecular Weight: 458.82 g/mol
• Exact Mass: 458.10
• IUPAC Name: 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide
• SMILES: O=C(NC1(COC(F)F)CC1)c1onc2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2
• InChI: InChI=1S/C19H18ClF3N4O4/c20-12-7-10(1-2-13(12)21)24-18(29)27-6-3-14-11(8-27)15(31-26-14)16(28)25-19(4-5-19)9-30-17(22)23/h1-2,7,17H,3-6,8-9H2,(H,24,29)(H,25,28)
• InChIKey: LSASYRVAFKTKDE-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.82
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 155262222) is 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide is O=C(NC1(COC(F)F)CC1)c1onc2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2.

What is the InChIKey of 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide?

The InChIKey is LSASYRVAFKTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O4/c20-12-7-10(1-2-13(12)21)24-18(29)27-6-3-14-11(8-27)15(31-26-14)16(28)25-19(4-5-19)9-30-17(22)23/h1-2,7,17H,3-6,8-9H2,(H,24,29)(H,25,28).

What are the key properties of 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide?

5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 458.82 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(3-chloro-4-fluorophenyl)-3-N-[1-(difluoromethoxymethyl)cyclopropyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 155262222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).