N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide

C14H21N7O2 — CID 121195144

IUPACN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCn1cc(-c2noc(CNC(=O)N3CCN(C)CC3)n2)cn1
InChIInChI=1S/C14H21N7O2/c1-3-21-10-11(8-16-21)13-17-12(23-18-13)9-15-14(22)20-6-4-19(2)5-7-20/h8,10H,3-7,9H2,1-2H3,(H,15,22)
InChIKeyMPWKALXQZRJFJX-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.41
Rot. Bonds4

About N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide

N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 121195144) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
PubChem CID121195144
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC NameN-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCn1cc(-c2noc(CNC(=O)N3CCN(C)CC3)n2)cn1
InChIInChI=1S/C14H21N7O2/c1-3-21-10-11(8-16-21)13-17-12(23-18-13)9-15-14(22)20-6-4-19(2)5-7-20/h8,10H,3-7,9H2,1-2H3,(H,15,22)
InChIKeyMPWKALXQZRJFJX-UHFFFAOYSA-N
XLogP0.41
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide (CID 121195144) is N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide is CCn1cc(-c2noc(CNC(=O)N3CCN(C)CC3)n2)cn1.
What is the InChIKey of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is MPWKALXQZRJFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-3-21-10-11(8-16-21)13-17-12(23-18-13)9-15-14(22)20-6-4-19(2)5-7-20/h8,10H,3-7,9H2,1-2H3,(H,15,22).
What are the key properties of N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide?
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 121195144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).