5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C24H30N4O — CID 30741315

IUPAC5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H30N4O/c1-18(2)23-25-24(29-26-23)19(3)27-14-16-28(17-15-27)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,22H,14-17H2,1-3H3/t19-/m1/s1
InChIKeyIRHMMYRGDUYCLM-LJQANCHMSA-N
MW390.53 g/mol
LogP4.66
Rot. Bonds6

About 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 30741315) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID30741315
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H30N4O/c1-18(2)23-25-24(29-26-23)19(3)27-14-16-28(17-15-27)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,22H,14-17H2,1-3H3/t19-/m1/s1
InChIKeyIRHMMYRGDUYCLM-LJQANCHMSA-N
XLogP4.66
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 71866134
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
CID 86922813
2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]benzonitrile
CID 94452073
(3S,4R)-4-phenyl-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 120761578
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
2-fluoro-6-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzonitrile
CID 42960389
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 97019007
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329
3-propan-2-yl-5-[1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 43061960
furan-3-yl-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 134007167

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 30741315) is 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc([C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is IRHMMYRGDUYCLM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18(2)23-25-24(29-26-23)19(3)27-14-16-28(17-15-27)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,22H,14-17H2,1-3H3/t19-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 390.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 30741315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).