5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide

C19H20FN5O2 — CID 75468904

IUPAC5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1nnc2n1CC(NC(=O)c1cc(-c3ccc(F)cc3)on1)CC2
InChIInChI=1S/C19H20FN5O2/c1-11(2)18-23-22-17-8-7-14(10-25(17)18)21-19(26)15-9-16(27-24-15)12-3-5-13(20)6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,21,26)
InChIKeyOEGPWSKQMJYDDP-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.94
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide (PubChem CID 75468904) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide
PubChem CID75468904
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1nnc2n1CC(NC(=O)c1cc(-c3ccc(F)cc3)on1)CC2
InChIInChI=1S/C19H20FN5O2/c1-11(2)18-23-22-17-8-7-14(10-25(17)18)21-19(26)15-9-16(27-24-15)12-3-5-13(20)6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,21,26)
InChIKeyOEGPWSKQMJYDDP-UHFFFAOYSA-N
XLogP2.94
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 75480219
5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide
CID 138996238
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 75473933
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
CID 97315987
5-cyclopropyl-N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methylpyrazole-4-carboxamide
CID 127787077
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2-dimethylpropanamide
CID 97346541
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide (CID 75468904) is 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide is CC(C)c1nnc2n1CC(NC(=O)c1cc(-c3ccc(F)cc3)on1)CC2.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OEGPWSKQMJYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-11(2)18-23-22-17-8-7-14(10-25(17)18)21-19(26)15-9-16(27-24-15)12-3-5-13(20)6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,21,26).
What are the key properties of 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75468904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).