(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile

C19H24N4O3 — CID 129329577

IUPAC(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile
SMILESCc1noc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)n1
InChIInChI=1S/C19H24N4O3/c1-13(11-20)25-17-5-3-15(4-6-17)12-21-18(16-7-9-24-10-8-16)19-22-14(2)23-26-19/h3-6,13,16,18,21H,7-10,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyFVWWDSVMOFYINJ-FZKQIMNGSA-N
MW356.43 g/mol
LogP2.93
Rot. Bonds7

About (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile

(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile (PubChem CID 129329577) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile
PubChem CID129329577
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile
SMILESCc1noc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)n1
InChIInChI=1S/C19H24N4O3/c1-13(11-20)25-17-5-3-15(4-6-17)12-21-18(16-7-9-24-10-8-16)19-22-14(2)23-26-19/h3-6,13,16,18,21H,7-10,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyFVWWDSVMOFYINJ-FZKQIMNGSA-N
XLogP2.93
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128969499
N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128976686
N-(1,3-benzodioxol-4-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128972081
(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 129336640
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
4-[[[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]benzonitrile
CID 128976489
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129331885
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129331035
(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 129329834
(1R)-N-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129338503
1-[(2S)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129351780
1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129328326

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile?
The IUPAC name of (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile (CID 129329577) is (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile.
What is the SMILES notation for (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile?
The canonical SMILES for (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile is Cc1noc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)n1.
What is the InChIKey of (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile?
The InChIKey is FVWWDSVMOFYINJ-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(11-20)25-17-5-3-15(4-6-17)12-21-18(16-7-9-24-10-8-16)19-22-14(2)23-26-19/h3-6,13,16,18,21H,7-10,12H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile?
(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile has a molecular weight of 356.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile is sourced from PubChem (CID 129329577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).