5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

C20H22N6O — CID 162666504

IUPAC5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(N(C)C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1
InChIInChI=1S/C20H22N6O/c1-14-11-16(24(2)3)6-7-17(14)19-22-23-20(27-19)25(4)12-15-5-8-18-21-9-10-26(18)13-15/h5-11,13H,12H2,1-4H3
InChIKeyBTTJCRPRTMNCMR-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.40
Rot. Bonds5

About 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 162666504) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID162666504
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(N(C)C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1
InChIInChI=1S/C20H22N6O/c1-14-11-16(24(2)3)6-7-17(14)19-22-23-20(27-19)25(4)12-15-5-8-18-21-9-10-26(18)13-15/h5-11,13H,12H2,1-4H3
InChIKeyBTTJCRPRTMNCMR-UHFFFAOYSA-N
XLogP3.40
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 162666504) is 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is Cc1cc(N(C)C)ccc1-c1nnc(N(C)Cc2ccc3nccn3c2)o1.
What is the InChIKey of 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is BTTJCRPRTMNCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-11-16(24(2)3)6-7-17(14)19-22-23-20(27-19)25(4)12-15-5-8-18-21-9-10-26(18)13-15/h5-11,13H,12H2,1-4H3.
What are the key properties of 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 362.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162666504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).