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

C14H19N5O2 — CID 86772512

IUPAC5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C14H19N5O2/c1-8(2)13-18-17-11-5-4-10(6-19(11)13)16-14(20)12-9(3)21-7-15-12/h7-8,10H,4-6H2,1-3H3,(H,16,20)
InChIKeyBXERUOWKCFQCAI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.44
Rot. Bonds3

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

5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide (PubChem CID 86772512) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
PubChem CID86772512
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C14H19N5O2/c1-8(2)13-18-17-11-5-4-10(6-19(11)13)16-14(20)12-9(3)21-7-15-12/h7-8,10H,4-6H2,1-3H3,(H,16,20)
InChIKeyBXERUOWKCFQCAI-UHFFFAOYSA-N
XLogP1.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide (CID 86772512) is 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CCc2nnc(C(C)C)n2C1.
What is the InChIKey of 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is BXERUOWKCFQCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8(2)13-18-17-11-5-4-10(6-19(11)13)16-14(20)12-9(3)21-7-15-12/h7-8,10H,4-6H2,1-3H3,(H,16,20).
What are the key properties of 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide?
5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86772512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).