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

C13H19N3O2 — CID 94023261

IUPAC(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)[C@@H](C)N(C)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H19N3O2/c1-9(2)10(3)16(4)8-12-14-15-13(18-12)11-6-5-7-17-11/h5-7,9-10H,8H2,1-4H3/t10-/m1/s1
InChIKeyOUPOPPYQEAPLFW-SNVBAGLBSA-N
MW249.31 g/mol
LogP2.81
Rot. Bonds5

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

(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 94023261) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID94023261
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)[C@@H](C)N(C)Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H19N3O2/c1-9(2)10(3)16(4)8-12-14-15-13(18-12)11-6-5-7-17-11/h5-7,9-10H,8H2,1-4H3/t10-/m1/s1
InChIKeyOUPOPPYQEAPLFW-SNVBAGLBSA-N
XLogP2.81
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine with MolForge

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Related Compounds

2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468410
4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79118319
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670446
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
CID 55005935
1-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758335
N-[1-(2-bromophenyl)ethyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60505670
1-(2,4-difluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 134001630
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82158215
1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 114419614
N-ethyl-2-[ethyl-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 8682611

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine (CID 94023261) is (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine is CC(C)[C@@H](C)N(C)Cc1nnc(-c2ccco2)o1.
What is the InChIKey of (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is OUPOPPYQEAPLFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)10(3)16(4)8-12-14-15-13(18-12)11-6-5-7-17-11/h5-7,9-10H,8H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine?
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 94023261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).