3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one

C23H33N5O2 — CID 97006129

IUPAC3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one
SMILESCc1ccc(-c2noc([C@H](C)N3CCN(CN4C(=O)C(C)(C)C4(C)C)CC3)n2)cc1
InChIInChI=1S/C23H33N5O2/c1-16-7-9-18(10-8-16)19-24-20(30-25-19)17(2)27-13-11-26(12-14-27)15-28-21(29)22(3,4)23(28,5)6/h7-10,17H,11-15H2,1-6H3/t17-/m0/s1
InChIKeySTTYDSCPBWTOKQ-KRWDZBQOSA-N
MW411.55 g/mol
LogP3.33
Rot. Bonds5

About 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one

3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one (PubChem CID 97006129) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one.

Molecular Properties

Compound Name3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one
PubChem CID97006129
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one
SMILESCc1ccc(-c2noc([C@H](C)N3CCN(CN4C(=O)C(C)(C)C4(C)C)CC3)n2)cc1
InChIInChI=1S/C23H33N5O2/c1-16-7-9-18(10-8-16)19-24-20(30-25-19)17(2)27-13-11-26(12-14-27)15-28-21(29)22(3,4)23(28,5)6/h7-10,17H,11-15H2,1-6H3/t17-/m0/s1
InChIKeySTTYDSCPBWTOKQ-KRWDZBQOSA-N
XLogP3.33
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one with MolForge

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Related Compounds

5-[(1S)-1-[4-(3-methylbutyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 52513118
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
5-[(1S)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 51952933
2-[[4-[(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 92857458
2-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 92857459
6-chloro-3-[[4-[(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 39008571
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]butan-1-one
CID 42952118
2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 46406315
4-(2-methoxyphenyl)-2-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 39008487
5-[(1R)-1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 51939519
(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119855455

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one?
The IUPAC name of 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one (CID 97006129) is 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one.
What is the SMILES notation for 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one?
The canonical SMILES for 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one is Cc1ccc(-c2noc([C@H](C)N3CCN(CN4C(=O)C(C)(C)C4(C)C)CC3)n2)cc1.
What is the InChIKey of 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one?
The InChIKey is STTYDSCPBWTOKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-16-7-9-18(10-8-16)19-24-20(30-25-19)17(2)27-13-11-26(12-14-27)15-28-21(29)22(3,4)23(28,5)6/h7-10,17H,11-15H2,1-6H3/t17-/m0/s1.
What are the key properties of 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one?
3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one has a molecular weight of 411.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetramethyl-1-[[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]azetidin-2-one is sourced from PubChem (CID 97006129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).