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

C11H15N3O2 — CID 94549401

IUPAC(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1nc(-c2ccco2)no1
InChIInChI=1S/C11H15N3O2/c1-11(2,3)8(12)10-13-9(14-16-10)7-5-4-6-15-7/h4-6,8H,12H2,1-3H3/t8-/m0/s1
InChIKeyOHJVIUIGQHPMCX-QMMMGPOBSA-N
MW221.26 g/mol
LogP2.38
Rot. Bonds2

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

(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (PubChem CID 94549401) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
PubChem CID94549401
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1nc(-c2ccco2)no1
InChIInChI=1S/C11H15N3O2/c1-11(2,3)8(12)10-13-9(14-16-10)7-5-4-6-15-7/h4-6,8H,12H2,1-3H3/t8-/m0/s1
InChIKeyOHJVIUIGQHPMCX-QMMMGPOBSA-N
XLogP2.38
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62716801
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707
5-(1-bromopropyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62854734
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470366
5-[(1R)-1-(1-tert-butyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983477
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104899417
(1S)-1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 107501935
(1R)-2,2-dimethyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 106847396
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 82736724
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63352296
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 104847409

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (CID 94549401) is (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1nc(-c2ccco2)no1.
What is the InChIKey of (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is OHJVIUIGQHPMCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2,3)8(12)10-13-9(14-16-10)7-5-4-6-15-7/h4-6,8H,12H2,1-3H3/t8-/m0/s1.
What are the key properties of (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 94549401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).