1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one

C11H17N3O2 — CID 155046165

IUPAC1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncc(C)o2)CC1
InChIInChI=1S/C11H17N3O2/c1-3-10(15)13-4-6-14(7-5-13)11-12-8-9(2)16-11/h8H,3-7H2,1-2H3
InChIKeyMQSIUCTUWYESRI-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.04
Rot. Bonds2

About 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one

1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 155046165) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID155046165
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncc(C)o2)CC1
InChIInChI=1S/C11H17N3O2/c1-3-10(15)13-4-6-14(7-5-13)11-12-8-9(2)16-11/h8H,3-7H2,1-2H3
InChIKeyMQSIUCTUWYESRI-UHFFFAOYSA-N
XLogP1.04
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one (CID 155046165) is 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncc(C)o2)CC1.
What is the InChIKey of 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is MQSIUCTUWYESRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-10(15)13-4-6-14(7-5-13)11-12-8-9(2)16-11/h8H,3-7H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one?
1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 223.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3-oxazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 155046165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).