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

C27H31FN6O3 — CID 169077831

IUPAC2-tert-butyl-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc2cc(-c3cc(NC(=O)c4cnc(C(C)(C)C)o4)c(F)cc3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C27H31FN6O3/c1-6-22-31-23-12-17(13-24(34(23)32-22)33-7-9-36-10-8-33)18-14-20(19(28)11-16(18)2)30-25(35)21-15-29-26(37-21)27(3,4)5/h11-15H,6-10H2,1-5H3,(H,30,35)
InChIKeySCBLILGPWATFQO-UHFFFAOYSA-N
MW506.58 g/mol
LogP4.78
Rot. Bonds5

About 2-tert-butyl-N-[5-(2-ethyl-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-ethyl-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 169077831) has the molecular formula C27H31FN6O3 and a molecular weight of 506.58 g/mol. Its IUPAC name is 2-tert-butyl-N-[5-(2-ethyl-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 Name2-tert-butyl-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
PubChem CID169077831
Molecular FormulaC27H31FN6O3
Molecular Weight506.58 g/mol
Exact Mass506.24
IUPAC Name2-tert-butyl-N-[5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc2cc(-c3cc(NC(=O)c4cnc(C(C)(C)C)o4)c(F)cc3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C27H31FN6O3/c1-6-22-31-23-12-17(13-24(34(23)32-22)33-7-9-36-10-8-33)18-14-20(19(28)11-16(18)2)30-25(35)21-15-29-26(37-21)27(3,4)5/h11-15H,6-10H2,1-5H3,(H,30,35)
InChIKeySCBLILGPWATFQO-UHFFFAOYSA-N
XLogP4.78
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[5-(2-ethyl-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-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide (CID 169077831) is 2-tert-butyl-N-[5-(2-ethyl-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-ethyl-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-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylphenyl]-1,3-oxazole-5-carboxamide is CCc1nc2cc(-c3cc(NC(=O)c4cnc(C(C)(C)C)o4)c(F)cc3C)cc(N3CCOCC3)n2n1.
What is the InChIKey of 2-tert-butyl-N-[5-(2-ethyl-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 SCBLILGPWATFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O3/c1-6-22-31-23-12-17(13-24(34(23)32-22)33-7-9-36-10-8-33)18-14-20(19(28)11-16(18)2)30-25(35)21-15-29-26(37-21)27(3,4)5/h11-15H,6-10H2,1-5H3,(H,30,35).
What are the key properties of 2-tert-butyl-N-[5-(2-ethyl-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-ethyl-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 506.58 g/mol, XLogP of 4.78, 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-ethyl-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 169077831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).