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

C11H15N3O2 — CID 102677451

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C11H15N3O2/c1-6-5-10(8(3)15-6)7(2)12-11-13-9(4)14-16-11/h5,7H,1-4H3,(H,12,13,14)
InChIKeyLGWQFEYQTBPNOU-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.76
Rot. Bonds3

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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 102677451) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID102677451
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C11H15N3O2/c1-6-5-10(8(3)15-6)7(2)12-11-13-9(4)14-16-11/h5,7H,1-4H3,(H,12,13,14)
InChIKeyLGWQFEYQTBPNOU-UHFFFAOYSA-N
XLogP2.76
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554
6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80953528
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
CID 115000740
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine
CID 103915139
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 62342085
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104533947
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106214197
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 102677428

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 102677451) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)c2cc(C)oc2C)n1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is LGWQFEYQTBPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-6-5-10(8(3)15-6)7(2)12-11-13-9(4)14-16-11/h5,7H,1-4H3,(H,12,13,14).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 221.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 102677451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).