N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine

C12H23N3O — CID 70568927

IUPACN,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCc1noc(N(C(C)CC)C(C)CC)n1
InChIInChI=1S/C12H23N3O/c1-6-9(4)15(10(5)7-2)12-13-11(8-3)14-16-12/h9-10H,6-8H2,1-5H3
InChIKeyKUDUGNIZVQZIGX-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.04
Rot. Bonds6

About N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine

N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine (PubChem CID 70568927) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine
PubChem CID70568927
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCc1noc(N(C(C)CC)C(C)CC)n1
InChIInChI=1S/C12H23N3O/c1-6-9(4)15(10(5)7-2)12-13-11(8-3)14-16-12/h9-10H,6-8H2,1-5H3
InChIKeyKUDUGNIZVQZIGX-UHFFFAOYSA-N
XLogP3.04
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine (CID 70568927) is N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine is CCc1noc(N(C(C)CC)C(C)CC)n1.
What is the InChIKey of N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is KUDUGNIZVQZIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-9(4)15(10(5)7-2)12-13-11(8-3)14-16-12/h9-10H,6-8H2,1-5H3.
What are the key properties of N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine?
N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 225.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-3-ethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 70568927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).