1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone

C17H28N4O2 — CID 71872044

IUPAC1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(Cc3nc(C)c(C)o3)CC2C)CC1
InChIInChI=1S/C17H28N4O2/c1-12-9-19(11-17-18-13(2)14(3)23-17)10-16(12)21-7-5-20(6-8-21)15(4)22/h12,16H,5-11H2,1-4H3
InChIKeyVOTXREIQNFYWLV-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.28
Rot. Bonds3

About 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone

1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone (PubChem CID 71872044) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
PubChem CID71872044
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(Cc3nc(C)c(C)o3)CC2C)CC1
InChIInChI=1S/C17H28N4O2/c1-12-9-19(11-17-18-13(2)14(3)23-17)10-16(12)21-7-5-20(6-8-21)15(4)22/h12,16H,5-11H2,1-4H3
InChIKeyVOTXREIQNFYWLV-UHFFFAOYSA-N
XLogP1.28
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone (CID 71872044) is 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CN(Cc3nc(C)c(C)o3)CC2C)CC1.
What is the InChIKey of 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is VOTXREIQNFYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-9-19(11-17-18-13(2)14(3)23-17)10-16(12)21-7-5-20(6-8-21)15(4)22/h12,16H,5-11H2,1-4H3.
What are the key properties of 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 320.44 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71872044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).