2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol

C12H21N3O2 — CID 111489627

IUPAC2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C12H21N3O2/c1-2-12(10-16)15-6-4-14(5-7-15)9-11-3-8-17-13-11/h3,8,12,16H,2,4-7,9-10H2,1H3
InChIKeyUPOUJIJKRJXJLV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.56
Rot. Bonds5

About 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol

2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol (PubChem CID 111489627) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol
PubChem CID111489627
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C12H21N3O2/c1-2-12(10-16)15-6-4-14(5-7-15)9-11-3-8-17-13-11/h3,8,12,16H,2,4-7,9-10H2,1H3
InChIKeyUPOUJIJKRJXJLV-UHFFFAOYSA-N
XLogP0.56
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489708
1-morpholin-4-yl-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 111488990
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489646
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489691
3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 54024148
2-[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]butan-1-ol
CID 111489487
4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 71988686
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 75449607
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
CID 111432875
1-(2-methylphenoxy)-3-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 111489016
2-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol (CID 111489627) is 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(Cc2ccon2)CC1.
What is the InChIKey of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is UPOUJIJKRJXJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-12(10-16)15-6-4-14(5-7-15)9-11-3-8-17-13-11/h3,8,12,16H,2,4-7,9-10H2,1H3.
What are the key properties of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol?
2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111489627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).