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

C20H23N5O2 — CID 75473570

IUPACN-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCc3nnc(Cc4ccccc4)n3C2)on1
InChIInChI=1S/C20H23N5O2/c1-13(2)16-11-17(27-24-16)20(26)21-15-8-9-18-22-23-19(25(18)12-15)10-14-6-4-3-5-7-14/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,21,26)
InChIKeyZKDPZBSLTBVPIV-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.73
Rot. Bonds5

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

N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 75473570) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID75473570
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCc3nnc(Cc4ccccc4)n3C2)on1
InChIInChI=1S/C20H23N5O2/c1-13(2)16-11-17(27-24-16)20(26)21-15-8-9-18-22-23-19(25(18)12-15)10-14-6-4-3-5-7-14/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,21,26)
InChIKeyZKDPZBSLTBVPIV-UHFFFAOYSA-N
XLogP2.73
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 75473570) is N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC2CCc3nnc(Cc4ccccc4)n3C2)on1.
What is the InChIKey of N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is ZKDPZBSLTBVPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(2)16-11-17(27-24-16)20(26)21-15-8-9-18-22-23-19(25(18)12-15)10-14-6-4-3-5-7-14/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75473570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).