5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole

C12H15N5O — CID 97007972

IUPAC5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccnc(N2CCC[C@H]2c2noc(C)n2)n1
InChIInChI=1S/C12H15N5O/c1-8-5-6-13-12(14-8)17-7-3-4-10(17)11-15-9(2)18-16-11/h5-6,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyMSLDTPMPRANQBR-JTQLQIEISA-N
MW245.29 g/mol
LogP1.82
Rot. Bonds2

About 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole

5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 97007972) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID97007972
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1ccnc(N2CCC[C@H]2c2noc(C)n2)n1
InChIInChI=1S/C12H15N5O/c1-8-5-6-13-12(14-8)17-7-3-4-10(17)11-15-9(2)18-16-11/h5-6,10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyMSLDTPMPRANQBR-JTQLQIEISA-N
XLogP1.82
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)pyrimidine
CID 63988927
5-Ethyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588217
3-(2-Piperazin-1-ylpyrimidin-4-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 45588450
5-Methyl-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588452
(2-Methylpyrimidin-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123685
3-[1-(4-Methylpyrimidin-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72130925
5-Ethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72130927
5-Propan-2-yl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72149620
1-[2-(4-Methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73439401
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylpyrimidin-2-amine
CID 75379596
[3-(Pyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methanamine Dihydrochloride
CID 177801322

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 97007972) is 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1ccnc(N2CCC[C@H]2c2noc(C)n2)n1.
What is the InChIKey of 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is MSLDTPMPRANQBR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-5-6-13-12(14-8)17-7-3-4-10(17)11-15-9(2)18-16-11/h5-6,10H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 245.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97007972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).