(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone

C12H19N3O2 — CID 135208529

IUPAC(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCC(C)c1nocc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9(2)11-10(8-17-13-11)12(16)15-6-4-14(3)5-7-15/h8-9H,4-7H2,1-3H3
InChIKeyZJRHVFYVNNKVSJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone

(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 135208529) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID135208529
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCC(C)c1nocc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9(2)11-10(8-17-13-11)12(16)15-6-4-14(3)5-7-15/h8-9H,4-7H2,1-3H3
InChIKeyZJRHVFYVNNKVSJ-UHFFFAOYSA-N
XLogP1.19
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 135208529) is (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone is CC(C)c1nocc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is ZJRHVFYVNNKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)11-10(8-17-13-11)12(16)15-6-4-14(3)5-7-15/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone?
(4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 135208529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).