4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one

C14H23N3O3 — CID 146125776

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
SMILESCC(C)(C)c1noc(CCCC(=O)N2CC[C@H](O)C2)n1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)13-15-11(20-16-13)5-4-6-12(19)17-8-7-10(18)9-17/h10,18H,4-9H2,1-3H3/t10-/m0/s1
InChIKeySQTNOYPPHIODRI-JTQLQIEISA-N
MW281.36 g/mol
LogP1.28
Rot. Bonds4

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one (PubChem CID 146125776) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
PubChem CID146125776
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
SMILESCC(C)(C)c1noc(CCCC(=O)N2CC[C@H](O)C2)n1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)13-15-11(20-16-13)5-4-6-12(19)17-8-7-10(18)9-17/h10,18H,4-9H2,1-3H3/t10-/m0/s1
InChIKeySQTNOYPPHIODRI-JTQLQIEISA-N
XLogP1.28
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[3-(methylamino)piperidin-1-yl]butan-1-one
CID 119492880
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 55670430
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R,4R)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]butan-1-one
CID 97010128
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 55668574
2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55668049
1-(3-hydroxyazetidin-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71853002
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 119634070
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 120747962
4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]morpholine-3-carboxylic acid
CID 119216378
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 56779253
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one
CID 38590366
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 55668750

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one (CID 146125776) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one is CC(C)(C)c1noc(CCCC(=O)N2CC[C@H](O)C2)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The InChIKey is SQTNOYPPHIODRI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2,3)13-15-11(20-16-13)5-4-6-12(19)17-8-7-10(18)9-17/h10,18H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one has a molecular weight of 281.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 146125776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).