4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide

C13H24N4O2 — CID 55103665

IUPAC4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1nonc1N
InChIInChI=1S/C13H24N4O2/c1-9(2)5-7-17(8-6-10(3)4)13(18)11-12(14)16-19-15-11/h9-10H,5-8H2,1-4H3,(H2,14,16)
InChIKeyLQEGEJFAEOBGKJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.19
Rot. Bonds7

About 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55103665) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55103665
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1nonc1N
InChIInChI=1S/C13H24N4O2/c1-9(2)5-7-17(8-6-10(3)4)13(18)11-12(14)16-19-15-11/h9-10H,5-8H2,1-4H3,(H2,14,16)
InChIKeyLQEGEJFAEOBGKJ-UHFFFAOYSA-N
XLogP2.19
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide (CID 55103665) is 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LQEGEJFAEOBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)5-7-17(8-6-10(3)4)13(18)11-12(14)16-19-15-11/h9-10H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55103665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).