(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol

C16H22N4O2 — CID 133486075

IUPAC(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc(-c2noc(N3CCN(C[C@@H](C)O)CC3)n2)cc1
InChIInChI=1S/C16H22N4O2/c1-12-3-5-14(6-4-12)15-17-16(22-18-15)20-9-7-19(8-10-20)11-13(2)21/h3-6,13,21H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyDUKHDWRTKHSJMO-CYBMUJFWSA-N
MW302.38 g/mol
LogP1.55
Rot. Bonds4

About (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol

(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol (PubChem CID 133486075) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
PubChem CID133486075
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc(-c2noc(N3CCN(C[C@@H](C)O)CC3)n2)cc1
InChIInChI=1S/C16H22N4O2/c1-12-3-5-14(6-4-12)15-17-16(22-18-15)20-9-7-19(8-10-20)11-13(2)21/h3-6,13,21H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyDUKHDWRTKHSJMO-CYBMUJFWSA-N
XLogP1.55
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 51131875
N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide
CID 75448602
5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 167878467
5-[(1S)-1-[4-(3-methylbutyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 52513118
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
CID 133453174
3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
CID 142694106
4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one
CID 20873192
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 95859468
3-(4-methylphenyl)-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,2,4-oxadiazole
CID 133465315
(2R)-1-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 133486181

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol (CID 133486075) is (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol is Cc1ccc(-c2noc(N3CCN(C[C@@H](C)O)CC3)n2)cc1.
What is the InChIKey of (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is DUKHDWRTKHSJMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-3-5-14(6-4-12)15-17-16(22-18-15)20-9-7-19(8-10-20)11-13(2)21/h3-6,13,21H,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 302.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).