2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C12H13N3O2 — CID 53195127

IUPAC2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccn2)c(C)o1
InChIInChI=1S/C12H13N3O2/c1-8-11(15-9(2)17-8)12(16)14-7-10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyCQOXCBOTYLBPAN-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.62
Rot. Bonds3

About 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195127) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID53195127
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccn2)c(C)o1
InChIInChI=1S/C12H13N3O2/c1-8-11(15-9(2)17-8)12(16)14-7-10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyCQOXCBOTYLBPAN-UHFFFAOYSA-N
XLogP1.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 53195127) is 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCc2ccccn2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CQOXCBOTYLBPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(15-9(2)17-8)12(16)14-7-10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).