(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane

C15H27N3O2 — CID 143166573

IUPAC(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane
SMILESCC.CCCCN1CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C13H21N3O2.C2H6/c1-3-4-5-15-6-8-16(9-7-15)13(17)12-10-11(2)18-14-12;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyKXZFNUVEEFLACC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.57
Rot. Bonds4

About (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane

(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane (PubChem CID 143166573) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane.

Molecular Properties

Compound Name(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane
PubChem CID143166573
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane
SMILESCC.CCCCN1CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C13H21N3O2.C2H6/c1-3-4-5-15-6-8-16(9-7-15)13(17)12-10-11(2)18-14-12;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyKXZFNUVEEFLACC-UHFFFAOYSA-N
XLogP2.57
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95613160
3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368967
[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95345252
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pentanamide
CID 108561888
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 126858225
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683

Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane?
The IUPAC name of (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane (CID 143166573) is (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane.
What is the SMILES notation for (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane?
The canonical SMILES for (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane is CC.CCCCN1CCN(C(=O)c2cc(C)on2)CC1.
What is the InChIKey of (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane?
The InChIKey is KXZFNUVEEFLACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.C2H6/c1-3-4-5-15-6-8-16(9-7-15)13(17)12-10-11(2)18-14-12;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane?
(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane has a molecular weight of 281.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane is sourced from PubChem (CID 143166573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).