2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C18H17N5O3 — CID 77096450

IUPAC2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(Cc3cocn3)Cc3cocn3)c(C)nc2c1
InChIInChI=1S/C18H17N5O3/c1-12-3-4-23-16(5-12)21-13(2)17(23)18(24)22(6-14-8-25-10-19-14)7-15-9-26-11-20-15/h3-5,8-11H,6-7H2,1-2H3
InChIKeyNBZPBPOIZIKZSX-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.77
Rot. Bonds5

About 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 77096450) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID77096450
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccn2c(C(=O)N(Cc3cocn3)Cc3cocn3)c(C)nc2c1
InChIInChI=1S/C18H17N5O3/c1-12-3-4-23-16(5-12)21-13(2)17(23)18(24)22(6-14-8-25-10-19-14)7-15-9-26-11-20-15/h3-5,8-11H,6-7H2,1-2H3
InChIKeyNBZPBPOIZIKZSX-UHFFFAOYSA-N
XLogP2.77
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 77096450) is 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccn2c(C(=O)N(Cc3cocn3)Cc3cocn3)c(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NBZPBPOIZIKZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-3-4-23-16(5-12)21-13(2)17(23)18(24)22(6-14-8-25-10-19-14)7-15-9-26-11-20-15/h3-5,8-11H,6-7H2,1-2H3.
What are the key properties of 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 77096450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).