3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C10H13N3O2 — CID 104790794

IUPAC3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCc1occc1-c1noc(NC(C)C)n1
InChIInChI=1S/C10H13N3O2/c1-6(2)11-10-12-9(13-15-10)8-4-5-14-7(8)3/h4-6H,1-3H3,(H,11,12,13)
InChIKeyUJFMEJAFNZGICC-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.46
Rot. Bonds3

About 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 104790794) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID104790794
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCc1occc1-c1noc(NC(C)C)n1
InChIInChI=1S/C10H13N3O2/c1-6(2)11-10-12-9(13-15-10)8-4-5-14-7(8)3/h4-6H,1-3H3,(H,11,12,13)
InChIKeyUJFMEJAFNZGICC-UHFFFAOYSA-N
XLogP2.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 104788961
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
3-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 104790942
5-(chloromethyl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788713
3-(2-bromo-3,4-difluorophenyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 107539888
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104788975
N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 104791003
(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113453475
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904254
N-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788968
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 104790794) is 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is Cc1occc1-c1noc(NC(C)C)n1.
What is the InChIKey of 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is UJFMEJAFNZGICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(2)11-10-12-9(13-15-10)8-4-5-14-7(8)3/h4-6H,1-3H3,(H,11,12,13).
What are the key properties of 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 207.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 104790794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).