[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C14H19N3O4 — CID 2970475

IUPAC[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)no1
InChIInChI=1S/C14H19N3O4/c1-10-9-11(15-21-10)13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-20-12/h9,12H,2-8H2,1H3
InChIKeyIODRLHFDXMWVKT-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.45
Rot. Bonds2

About [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 2970475) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID2970475
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)no1
InChIInChI=1S/C14H19N3O4/c1-10-9-11(15-21-10)13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-20-12/h9,12H,2-8H2,1H3
InChIKeyIODRLHFDXMWVKT-UHFFFAOYSA-N
XLogP0.45
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 2970475) is [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)no1.
What is the InChIKey of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is IODRLHFDXMWVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-9-11(15-21-10)13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-20-12/h9,12H,2-8H2,1H3.
What are the key properties of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 293.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 2970475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).