1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C19H17FN4O3S — CID 90503613

About 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 90503613) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 90503613
• Molecular Formula: C19H17FN4O3S
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.10
• IUPAC Name: 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
• SMILES: CNC(=O)Cc1csc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)n1
• InChI: InChI=1S/C19H17FN4O3S/c1-21-16(25)8-11-10-28-18(22-11)23-17(26)19(6-7-19)15-9-14(27-24-15)12-4-2-3-5-13(12)20/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H,22,23,26)
• InChIKey: ZXZHESBUQHJCTR-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 90503613) is 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is CNC(=O)Cc1csc(NC(=O)C2(c3cc(-c4ccccc4F)on3)CC2)n1.

What is the InChIKey of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The InChIKey is ZXZHESBUQHJCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-21-16(25)8-11-10-28-18(22-11)23-17(26)19(6-7-19)15-9-14(27-24-15)12-4-2-3-5-13(12)20/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H,22,23,26).

What are the key properties of 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90503613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).