cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

C11H13N3O2 — CID 61325253

IUPACcyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1occc1-c1nc(C(N)C2CC2)no1
InChIInChI=1S/C11H13N3O2/c1-6-8(4-5-15-6)11-13-10(14-16-11)9(12)7-2-3-7/h4-5,7,9H,2-3,12H2,1H3
InChIKeyDSKLNTSNZGIFCV-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.05
Rot. Bonds3

About cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61325253) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61325253
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namecyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1occc1-c1nc(C(N)C2CC2)no1
InChIInChI=1S/C11H13N3O2/c1-6-8(4-5-15-6)11-13-10(14-16-11)9(12)7-2-3-7/h4-5,7,9H,2-3,12H2,1H3
InChIKeyDSKLNTSNZGIFCV-UHFFFAOYSA-N
XLogP2.05
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61325253) is cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1occc1-c1nc(C(N)C2CC2)no1.
What is the InChIKey of cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is DSKLNTSNZGIFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-8(4-5-15-6)11-13-10(14-16-11)9(12)7-2-3-7/h4-5,7,9H,2-3,12H2,1H3.
What are the key properties of cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 219.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61325253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).