N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide

C17H31N5O2 — CID 16189997

IUPAC2-[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)CCC1=NOC(=N1)CN2CCN(CC2)CC(=O)NC(C)C
InChIInChI=1S/C17H31N5O2/c1-13(2)5-6-15-19-17(24-20-15)12-22-9-7-21(8-10-22)11-16(23)18-14(3)4/h13-14H,5-12H2,1-4H3,(H,18,23)
InChIKeyTXFYHBKWMQKZLI-UHFFFAOYSA-N
MW337.50 g/mol
LogP2.00
Rot. Bonds8

About N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide

N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide (PubChem CID 16189997) has the molecular formula C17H31N5O2 and a molecular weight of 337.50 g/mol. Its IUPAC name is 2-[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
PubChem CID16189997
Molecular FormulaC17H31N5O2
Molecular Weight337.50 g/mol
Exact Mass337.25
IUPAC Name2-[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)CCC1=NOC(=N1)CN2CCN(CC2)CC(=O)NC(C)C
InChIInChI=1S/C17H31N5O2/c1-13(2)5-6-15-19-17(24-20-15)12-22-9-7-21(8-10-22)11-16(23)18-14(3)4/h13-14H,5-12H2,1-4H3,(H,18,23)
InChIKeyTXFYHBKWMQKZLI-UHFFFAOYSA-N
XLogP2.00
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity383

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide?
The IUPAC name of N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide (CID 16189997) is 2-[4-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide?
The canonical SMILES for N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide is CC(C)CCC1=NOC(=N1)CN2CCN(CC2)CC(=O)NC(C)C.
What is the InChIKey of N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide?
The InChIKey is TXFYHBKWMQKZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-13(2)5-6-15-19-17(24-20-15)12-22-9-7-21(8-10-22)11-16(23)18-14(3)4/h13-14H,5-12H2,1-4H3,(H,18,23).
What are the key properties of N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide?
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide has a molecular weight of 337.50 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide is sourced from PubChem (CID 16189997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).