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

C10H13N3O2 — CID 115924732

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(C)o2)c(C)o1
InChIInChI=1S/C10H13N3O2/c1-6-4-9(7(2)14-6)5-11-10-13-12-8(3)15-10/h4H,5H2,1-3H3,(H,11,13)
InChIKeyYYRHUYJRHNZTFC-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.20
Rot. Bonds3

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

N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 115924732) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID115924732
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(C)o2)c(C)o1
InChIInChI=1S/C10H13N3O2/c1-6-4-9(7(2)14-6)5-11-10-13-12-8(3)15-10/h4H,5H2,1-3H3,(H,11,13)
InChIKeyYYRHUYJRHNZTFC-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924781
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924736
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924708
N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 130702623
N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115876966
N-[(2,5-dimethylfuran-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75521951
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 166367410
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 72863266
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599766
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 115924732) is N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1cc(CNc2nnc(C)o2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is YYRHUYJRHNZTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-4-9(7(2)14-6)5-11-10-13-12-8(3)15-10/h4H,5H2,1-3H3,(H,11,13).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 207.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115924732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).