2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide

C28H31FN6O3 — CID 169077868

About 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide

2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide (PubChem CID 169077868) has the molecular formula C28H31FN6O3 and a molecular weight of 518.59 g/mol. Its IUPAC name is 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 169077868
• Molecular Formula: C28H31FN6O3
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.24
• IUPAC Name: 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)c2cnc(C(C)(C)C)o2)cc1-c1cc(N2CCOCC2)n2nc(C3CC3)nc2c1
• InChI: InChI=1S/C28H31FN6O3/c1-16-11-20(29)21(31-26(36)22-15-30-27(38-22)28(2,3)4)14-19(16)18-12-23-32-25(17-5-6-17)33-35(23)24(13-18)34-7-9-37-10-8-34/h11-15,17H,5-10H2,1-4H3,(H,31,36)
• InChIKey: LSXUTFVCINKIHZ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 97.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide (CID 169077868) is 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide is Cc1cc(F)c(NC(=O)c2cnc(C(C)(C)C)o2)cc1-c1cc(N2CCOCC2)n2nc(C3CC3)nc2c1.

What is the InChIKey of 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?

The InChIKey is LSXUTFVCINKIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O3/c1-16-11-20(29)21(31-26(36)22-15-30-27(38-22)28(2,3)4)14-19(16)18-12-23-32-25(17-5-6-17)33-35(23)24(13-18)34-7-9-37-10-8-34/h11-15,17H,5-10H2,1-4H3,(H,31,36).

What are the key properties of 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide?

2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 518.59 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-[5-(2-cyclopropyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 169077868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).