(2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one

C20H34N4O4 — CID 96504057

IUPAC(2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C20H34N4O4/c1-15(27-14-16-7-5-6-12-26-16)18(25)24-10-8-23(9-11-24)13-17-21-19(28-22-17)20(2,3)4/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyJOXWCOMUPJNALF-HZPDHXFCSA-N
MW394.52 g/mol
LogP1.99
Rot. Bonds6

About (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one

(2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one (PubChem CID 96504057) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
PubChem CID96504057
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Name(2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1
InChIInChI=1S/C20H34N4O4/c1-15(27-14-16-7-5-6-12-26-16)18(25)24-10-8-23(9-11-24)13-17-21-19(28-22-17)20(2,3)4/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyJOXWCOMUPJNALF-HZPDHXFCSA-N
XLogP1.99
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one with MolForge

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Related Compounds

(2R)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 99789190
(2S)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 98772177
(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 95176482
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95323324
1-(3-aminopiperidin-1-yl)-2-(oxan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119381744
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
(2R)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butan-1-one
CID 95318150
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663
(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 100858205

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The IUPAC name of (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one (CID 96504057) is (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one.
What is the SMILES notation for (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The canonical SMILES for (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one is C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1.
What is the InChIKey of (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The InChIKey is JOXWCOMUPJNALF-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-15(27-14-16-7-5-6-12-26-16)18(25)24-10-8-23(9-11-24)13-17-21-19(28-22-17)20(2,3)4/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
(2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one has a molecular weight of 394.52 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one is sourced from PubChem (CID 96504057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).