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

C22H30N4O3 — CID 10318686

IUPAC1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
InChIInChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
InChIKeyHUIUQPNWNWZOTQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.91
Rot. Bonds7

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

1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 10318686) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one
PubChem CID10318686
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
InChIInChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
InChIKeyHUIUQPNWNWZOTQ-UHFFFAOYSA-N
XLogP2.91
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one (CID 10318686) is 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1.
What is the InChIKey of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is HUIUQPNWNWZOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3.
What are the key properties of 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one?
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 398.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 10318686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).