3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide

C14H18N4O2 — CID 128966217

IUPAC3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)20-17-9)14(19)16-8-11-3-5-18-6-4-15-12(18)7-11/h4,6,11H,3,5,7-8H2,1-2H3,(H,16,19)
InChIKeyXWMKDCMARIDPNN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds3

About 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 128966217) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID128966217
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC1CCn2ccnc2C1
InChIInChI=1S/C14H18N4O2/c1-9-13(10(2)20-17-9)14(19)16-8-11-3-5-18-6-4-15-12(18)7-11/h4,6,11H,3,5,7-8H2,1-2H3,(H,16,19)
InChIKeyXWMKDCMARIDPNN-UHFFFAOYSA-N
XLogP1.48
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide (CID 128966217) is 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCC1CCn2ccnc2C1.
What is the InChIKey of 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XWMKDCMARIDPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-13(10(2)20-17-9)14(19)16-8-11-3-5-18-6-4-15-12(18)7-11/h4,6,11H,3,5,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 128966217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).