(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol

C16H28N4O2 — CID 95308399

IUPAC(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)CN1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C16H28N4O2/c1-16(2,3)13(21)10-19-6-8-20(9-7-19)11-14-17-18-15(22-14)12-4-5-12/h12-13,21H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyRAHAKEVMJIMTSN-CYBMUJFWSA-N
MW308.43 g/mol
LogP1.47
Rot. Bonds5

About (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol

(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 95308399) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID95308399
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)CN1CCN(Cc2nnc(C3CC3)o2)CC1
InChIInChI=1S/C16H28N4O2/c1-16(2,3)13(21)10-19-6-8-20(9-7-19)11-14-17-18-15(22-14)12-4-5-12/h12-13,21H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyRAHAKEVMJIMTSN-CYBMUJFWSA-N
XLogP1.47
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
cyclopropyl-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 171993029
2-cyclopropyl-5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56820809
2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95280329
2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 75463945
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 111109144
2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 171994538
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 47704652
2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171999804
2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331326
5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163343876

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol (CID 95308399) is (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol is CC(C)(C)[C@H](O)CN1CCN(Cc2nnc(C3CC3)o2)CC1.
What is the InChIKey of (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is RAHAKEVMJIMTSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)13(21)10-19-6-8-20(9-7-19)11-14-17-18-15(22-14)12-4-5-12/h12-13,21H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol?
(2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 308.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 95308399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).