(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone

C12H19N3O2 — CID 110833104

IUPAC(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1cnc(C(=O)N2CCNCC2)o1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9-8-14-10(17-9)11(16)15-6-4-13-5-7-15/h8,13H,4-7H2,1-3H3
InChIKeyUMLSTZGYHLSTSV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.02
Rot. Bonds1

About (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone

(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone (PubChem CID 110833104) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
PubChem CID110833104
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1cnc(C(=O)N2CCNCC2)o1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)9-8-14-10(17-9)11(16)15-6-4-13-5-7-15/h8,13H,4-7H2,1-3H3
InChIKeyUMLSTZGYHLSTSV-UHFFFAOYSA-N
XLogP1.02
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-1,3-oxazol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 110833105
1,3-oxazol-2-yl(piperazin-1-yl)methanone
CID 83617555
(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 167771150
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 58674992
1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone
CID 110833123
(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
CID 14300314
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
CID 82510921
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443516

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone (CID 110833104) is (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone is CC(C)(C)c1cnc(C(=O)N2CCNCC2)o1.
What is the InChIKey of (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone?
The InChIKey is UMLSTZGYHLSTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)9-8-14-10(17-9)11(16)15-6-4-13-5-7-15/h8,13H,4-7H2,1-3H3.
What are the key properties of (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone?
(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone has a molecular weight of 237.30 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 110833104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).