N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C13H17N3O2 — CID 65152251

IUPACN-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1oc(C)c(-c2nnc(CNC3CC3)o2)c1C
InChIInChI=1S/C13H17N3O2/c1-7-8(2)17-9(3)12(7)13-16-15-11(18-13)6-14-10-4-5-10/h10,14H,4-6H2,1-3H3
InChIKeyKCVJBMDSEBISLF-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.51
Rot. Bonds4

About N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 65152251) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID65152251
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1oc(C)c(-c2nnc(CNC3CC3)o2)c1C
InChIInChI=1S/C13H17N3O2/c1-7-8(2)17-9(3)12(7)13-16-15-11(18-13)6-14-10-4-5-10/h10,14H,4-6H2,1-3H3
InChIKeyKCVJBMDSEBISLF-UHFFFAOYSA-N
XLogP2.51
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 65152251) is N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Cc1oc(C)c(-c2nnc(CNC3CC3)o2)c1C.
What is the InChIKey of N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is KCVJBMDSEBISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-8(2)17-9(3)12(7)13-16-15-11(18-13)6-14-10-4-5-10/h10,14H,4-6H2,1-3H3.
What are the key properties of N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 247.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65152251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).