5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

C16H13ClF3N5O2 — CID 3291386

About 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide

5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 3291386) has the molecular formula C16H13ClF3N5O2 and a molecular weight of 399.76 g/mol. Its IUPAC name is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
• PubChem CID: 3291386
• Molecular Formula: C16H13ClF3N5O2
• Molecular Weight: 399.76 g/mol
• Exact Mass: 399.07
• IUPAC Name: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
• SMILES: O=C(Nc1cccnc1)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1
• InChI: InChI=1S/C16H13ClF3N5O2/c17-12-4-9(16(18,19)20)6-22-14(12)23-8-11-5-13(25-27-11)15(26)24-10-2-1-3-21-7-10/h1-4,6-7,11H,5,8H2,(H,22,23)(H,24,26)
• InChIKey: ANQBXHKNFRWVEC-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 88.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.76
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 3291386) is 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1.

What is the InChIKey of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?

The InChIKey is ANQBXHKNFRWVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5O2/c17-12-4-9(16(18,19)20)6-22-14(12)23-8-11-5-13(25-27-11)15(26)24-10-2-1-3-21-7-10/h1-4,6-7,11H,5,8H2,(H,22,23)(H,24,26).

What are the key properties of 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide?

5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 399.76 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3291386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).