5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

C22H20N6O2 — CID 164622143

IUPAC5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1noc(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1
InChIInChI=1S/C22H20N6O2/c1-14-20(15(2)30-26-14)17-5-7-18(8-6-17)21-24-25-22(29-21)27(3)12-16-4-9-19-23-10-11-28(19)13-16/h4-11,13H,12H2,1-3H3
InChIKeyGPSOVUJWIMLCRX-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.29
Rot. Bonds5

About 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 164622143) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID164622143
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1noc(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1
InChIInChI=1S/C22H20N6O2/c1-14-20(15(2)30-26-14)17-5-7-18(8-6-17)21-24-25-22(29-21)27(3)12-16-4-9-19-23-10-11-28(19)13-16/h4-11,13H,12H2,1-3H3
InChIKeyGPSOVUJWIMLCRX-UHFFFAOYSA-N
XLogP4.29
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 164622143) is 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is Cc1noc(C)c1-c1ccc(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)cc1.
What is the InChIKey of 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GPSOVUJWIMLCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-20(15(2)30-26-14)17-5-7-18(8-6-17)21-24-25-22(29-21)27(3)12-16-4-9-19-23-10-11-28(19)13-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 400.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164622143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).