3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C18H26N6O — CID 36649679

IUPAC3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(N2CCN(Cc3nc(C4CC4)no3)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-12(2)17-19-13(3)10-15(20-17)24-8-6-23(7-9-24)11-16-21-18(22-25-16)14-4-5-14/h10,12,14H,4-9,11H2,1-3H3
InChIKeyXRVPNRACDBINAQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.49
Rot. Bonds5

About 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 36649679) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID36649679
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(N2CCN(Cc3nc(C4CC4)no3)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-12(2)17-19-13(3)10-15(20-17)24-8-6-23(7-9-24)11-16-21-18(22-25-16)14-4-5-14/h10,12,14H,4-9,11H2,1-3H3
InChIKeyXRVPNRACDBINAQ-UHFFFAOYSA-N
XLogP2.49
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

6-ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50978397
N-{[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-YL]methyl}-N,4,6-trimethylpyrimidin-2-amine
CID 50983426
N,N,6-trimethyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 53573843
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 75379595
5-[1-[4-(4-Ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75455387
3-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95824258
1-(4-(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 112909430
3-tert-butyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37255919
4-Ethyl-N,N-dimethyl-6-(4-{methyl[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]amino}piperidin-1-YL)pyrimidin-2-amine
CID 72839381
3-Methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 36786104
4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564736
2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564737

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 36649679) is 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cc(N2CCN(Cc3nc(C4CC4)no3)CC2)nc(C(C)C)n1.
What is the InChIKey of 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is XRVPNRACDBINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12(2)17-19-13(3)10-15(20-17)24-8-6-23(7-9-24)11-16-21-18(22-25-16)14-4-5-14/h10,12,14H,4-9,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 342.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 36649679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).