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

C16H21N5O3 — CID 99637300

IUPAC5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1nnc2n1CCCC2
InChIInChI=1S/C16H21N5O3/c1-10(15-20-19-12-6-2-3-7-21(12)15)18-16(22)13-14(24-9-17-13)11-5-4-8-23-11/h9-11H,2-8H2,1H3,(H,18,22)/t10-,11-/m1/s1
InChIKeyFIRPJGZCPYLFKQ-GHMZBOCLSA-N
MW331.38 g/mol
LogP1.94
Rot. Bonds4

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

5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 99637300) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID99637300
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1nnc2n1CCCC2
InChIInChI=1S/C16H21N5O3/c1-10(15-20-19-12-6-2-3-7-21(12)15)18-16(22)13-14(24-9-17-13)11-5-4-8-23-11/h9-11H,2-8H2,1H3,(H,18,22)/t10-,11-/m1/s1
InChIKeyFIRPJGZCPYLFKQ-GHMZBOCLSA-N
XLogP1.94
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 99637300) is 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide is C[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1nnc2n1CCCC2.
What is the InChIKey of 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FIRPJGZCPYLFKQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(15-20-19-12-6-2-3-7-21(12)15)18-16(22)13-14(24-9-17-13)11-5-4-8-23-11/h9-11H,2-8H2,1H3,(H,18,22)/t10-,11-/m1/s1.
What are the key properties of 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide?
5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolan-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99637300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).