N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine

C12H17N3O2 — CID 86782910

IUPACN-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2ccc(CC)o2)o1
InChIInChI=1S/C12H17N3O2/c1-3-5-11-14-15-12(17-11)13-8-10-7-6-9(4-2)16-10/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyKKRVJGUARDBIEQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.79
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 86782910) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID86782910
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2ccc(CC)o2)o1
InChIInChI=1S/C12H17N3O2/c1-3-5-11-14-15-12(17-11)13-8-10-7-6-9(4-2)16-10/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyKKRVJGUARDBIEQ-UHFFFAOYSA-N
XLogP2.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 86782910) is N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2ccc(CC)o2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is KKRVJGUARDBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-5-11-14-15-12(17-11)13-8-10-7-6-9(4-2)16-10/h6-7H,3-5,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86782910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).