(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine

C14H17N5O3 — CID 95144639

IUPAC(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOC[C@H](NCc1nc(-c2ccco2)no1)c1ccnn1C
InChIInChI=1S/C14H17N5O3/c1-19-11(5-6-16-19)10(9-20-2)15-8-13-17-14(18-22-13)12-4-3-7-21-12/h3-7,10,15H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyYLUYHRBXPVDKDN-JTQLQIEISA-N
MW303.32 g/mol
LogP1.54
Rot. Bonds7

About (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine

(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 95144639) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID95144639
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCOC[C@H](NCc1nc(-c2ccco2)no1)c1ccnn1C
InChIInChI=1S/C14H17N5O3/c1-19-11(5-6-16-19)10(9-20-2)15-8-13-17-14(18-22-13)12-4-3-7-21-12/h3-7,10,15H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyYLUYHRBXPVDKDN-JTQLQIEISA-N
XLogP1.54
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95158981
(2S,3R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95613864
(2R,3R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95613865
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-imidazol-1-yl-3-methylbutan-2-amine
CID 50956111
2-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 62694884
1-(4-ethylphenyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 86922268
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780229
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 97333448
1-(2,5-dimethylfuran-3-yl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 86789733
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine (CID 95144639) is (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine is COC[C@H](NCc1nc(-c2ccco2)no1)c1ccnn1C.
What is the InChIKey of (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is YLUYHRBXPVDKDN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O3/c1-19-11(5-6-16-19)10(9-20-2)15-8-13-17-14(18-22-13)12-4-3-7-21-12/h3-7,10,15H,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine?
(1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 303.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 95144639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).