3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine

C16H22N4O2 — CID 133439384

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NC2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-10-18-14(21-20-10)11-7-6-8-17-13(11)19-12-9-15(2,3)22-16(12,4)5/h6-8,12H,9H2,1-5H3,(H,17,19)
InChIKeyGCFYCHHJGXOAKQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.20
Rot. Bonds3

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine (PubChem CID 133439384) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
PubChem CID133439384
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NC2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-10-18-14(21-20-10)11-7-6-8-17-13(11)19-12-9-15(2,3)22-16(12,4)5/h6-8,12H,9H2,1-5H3,(H,17,19)
InChIKeyGCFYCHHJGXOAKQ-UHFFFAOYSA-N
XLogP3.20
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133439472
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 97055674
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine
CID 171689533
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine
CID 133322060
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
CID 71913140
2,5,6-trimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-amine
CID 133439394
3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile
CID 133439566
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
CID 97009062
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol
CID 133342901
N-(2,2-dimethylcyclopropyl)-3-methylpyridin-2-amine
CID 62255671
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine
CID 133317461

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine (CID 133439384) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine is Cc1noc(-c2cccnc2NC2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine?
The InChIKey is GCFYCHHJGXOAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-18-14(21-20-10)11-7-6-8-17-13(11)19-12-9-15(2,3)22-16(12,4)5/h6-8,12H,9H2,1-5H3,(H,17,19).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 133439384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).