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

C17H26N6O — CID 95579463

IUPAC2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1cc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)nc(C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-11(2)16-18-12(3)10-15(19-16)23-8-6-22(7-9-23)13(4)17-21-20-14(5)24-17/h10-11,13H,6-9H2,1-5H3/t13-/m0/s1
InChIKeyMZKHHBVKUHQOAA-ZDUSSCGKSA-N
MW330.44 g/mol
LogP2.48
Rot. Bonds4

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

2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 95579463) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID95579463
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1cc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)nc(C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-11(2)16-18-12(3)10-15(19-16)23-8-6-22(7-9-23)13(4)17-21-20-14(5)24-17/h10-11,13H,6-9H2,1-5H3/t13-/m0/s1
InChIKeyMZKHHBVKUHQOAA-ZDUSSCGKSA-N
XLogP2.48
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 94176715
2-N,2-N-dimethyl-6-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 41176327
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
2-methyl-5-[(1S)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276718
2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276720
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide
CID 51112532
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 17452594
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 154839242
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine-2-carbothioamide
CID 79681577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole (CID 95579463) is 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole is Cc1cc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)nc(C(C)C)n1.
What is the InChIKey of 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is MZKHHBVKUHQOAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11(2)16-18-12(3)10-15(19-16)23-8-6-22(7-9-23)13(4)17-21-20-14(5)24-17/h10-11,13H,6-9H2,1-5H3/t13-/m0/s1.
What are the key properties of 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 330.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95579463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).