3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide

C17H22N4O2 — CID 3070613

IUPAC3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide
SMILESCC1CN(CCC(N)=O)CCN1c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c1-13-12-20(8-7-16(18)22)9-10-21(13)17-11-15(19-23-17)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,22)
InChIKeyLRXPJJRXCWWFMG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.73
Rot. Bonds5

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

3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide (PubChem CID 3070613) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide
PubChem CID3070613
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide
SMILESCC1CN(CCC(N)=O)CCN1c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H22N4O2/c1-13-12-20(8-7-16(18)22)9-10-21(13)17-11-15(19-23-17)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,22)
InChIKeyLRXPJJRXCWWFMG-UHFFFAOYSA-N
XLogP1.73
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide (CID 3070613) is 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide is CC1CN(CCC(N)=O)CCN1c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide?
The InChIKey is LRXPJJRXCWWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-12-20(8-7-16(18)22)9-10-21(13)17-11-15(19-23-17)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,22).
What are the key properties of 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide?
3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 3070613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).