2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide

C22H17N7O2 — CID 118162704

IUPAC2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cncc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1
InChIInChI=1S/C22H17N7O2/c1-13-19(31-14(2)25-13)21(30)26-18-8-16(9-23-11-18)20-27-22-24-10-17(12-29(22)28-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,26,30)
InChIKeyKUIAUWIJVCJZRD-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.71
Rot. Bonds4

About 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 118162704) has the molecular formula C22H17N7O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID118162704
Molecular FormulaC22H17N7O2
Molecular Weight411.43 g/mol
Exact Mass411.14
IUPAC Name2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cncc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1
InChIInChI=1S/C22H17N7O2/c1-13-19(31-14(2)25-13)21(30)26-18-8-16(9-23-11-18)20-27-22-24-10-17(12-29(22)28-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,26,30)
InChIKeyKUIAUWIJVCJZRD-UHFFFAOYSA-N
XLogP3.71
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide (CID 118162704) is 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cncc(-c3nc4ncc(-c5ccccc5)cn4n3)c2)o1.
What is the InChIKey of 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is KUIAUWIJVCJZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O2/c1-13-19(31-14(2)25-13)21(30)26-18-8-16(9-23-11-18)20-27-22-24-10-17(12-29(22)28-20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,26,30).
What are the key properties of 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118162704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).