N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C16H20N6O — CID 133432082

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(N(C)Cc3nccn3C)c2)n1
InChIInChI=1S/C16H20N6O/c1-11(2)15-19-16(23-20-15)12-5-6-17-13(9-12)22(4)10-14-18-7-8-21(14)3/h5-9,11H,10H2,1-4H3
InChIKeyTUFZDZWQAHWZMR-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133432082) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133432082
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(N(C)Cc3nccn3C)c2)n1
InChIInChI=1S/C16H20N6O/c1-11(2)15-19-16(23-20-15)12-5-6-17-13(9-12)22(4)10-14-18-7-8-21(14)3/h5-9,11H,10H2,1-4H3
InChIKeyTUFZDZWQAHWZMR-UHFFFAOYSA-N
XLogP2.62
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133463420
2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol
CID 133381525
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 42290566
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 133334503
4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026010
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133382324
N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 71871479
5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133321766

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133432082) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC(C)c1noc(-c2ccnc(N(C)Cc3nccn3C)c2)n1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is TUFZDZWQAHWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11(2)15-19-16(23-20-15)12-5-6-17-13(9-12)22(4)10-14-18-7-8-21(14)3/h5-9,11H,10H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133432082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).