4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

C19H28N6O4 — CID 86904681

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)NCCc2nc(C(C)C)no2)CC1
InChIInChI=1S/C19H28N6O4/c1-12(2)18-21-16(29-23-18)5-6-20-19(27)25-9-7-24(8-10-25)17(26)11-15-13(3)22-28-14(15)4/h12H,5-11H2,1-4H3,(H,20,27)
InChIKeyQIEFLCVXCKZZOG-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.44
Rot. Bonds6

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide (PubChem CID 86904681) has the molecular formula C19H28N6O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
PubChem CID86904681
Molecular FormulaC19H28N6O4
Molecular Weight404.47 g/mol
Exact Mass404.22
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)NCCc2nc(C(C)C)no2)CC1
InChIInChI=1S/C19H28N6O4/c1-12(2)18-21-16(29-23-18)5-6-20-19(27)25-9-7-24(8-10-25)17(26)11-15-13(3)22-28-14(15)4/h12H,5-11H2,1-4H3,(H,20,27)
InChIKeyQIEFLCVXCKZZOG-UHFFFAOYSA-N
XLogP1.44
TPSA117.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
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1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
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3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 138994102
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-1-sulfonamide
CID 146122605
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
N-[3-(benzimidazol-1-yl)propyl]-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carboxamide
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4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-methyl-2-(3-methylphenyl)propyl]piperazine-1-carboxamide
CID 86879979
3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744
(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 99857295
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 154738700
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide (CID 86904681) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide is Cc1noc(C)c1CC(=O)N1CCN(C(=O)NCCc2nc(C(C)C)no2)CC1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is QIEFLCVXCKZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O4/c1-12(2)18-21-16(29-23-18)5-6-20-19(27)25-9-7-24(8-10-25)17(26)11-15-13(3)22-28-14(15)4/h12H,5-11H2,1-4H3,(H,20,27).
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 86904681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).