3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile

C19H21N3O — CID 100950304

IUPAC3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile
SMILESC[C@]1(c2ccncc2)OC[C@H](CCC#N)N1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-19(17-9-12-21-13-10-17)22(14-16-6-3-2-4-7-16)18(15-23-19)8-5-11-20/h2-4,6-7,9-10,12-13,18H,5,8,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyLNUDSBDLELAWQR-RBUKOAKNSA-N
MW307.40 g/mol
LogP3.46
Rot. Bonds5

About 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile

3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile (PubChem CID 100950304) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile.

Molecular Properties

Compound Name3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile
PubChem CID100950304
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile
SMILESC[C@]1(c2ccncc2)OC[C@H](CCC#N)N1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-19(17-9-12-21-13-10-17)22(14-16-6-3-2-4-7-16)18(15-23-19)8-5-11-20/h2-4,6-7,9-10,12-13,18H,5,8,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyLNUDSBDLELAWQR-RBUKOAKNSA-N
XLogP3.46
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine
CID 155289958
(4R)-3-benzyl-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine
CID 11172777
3-[(2R,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]propanenitrile
CID 83913156
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 101229912
4-(1-benzyl-3-fluoropyrrolidin-3-yl)pyridine
CID 121205306
2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
CID 27281589
2-[1-benzyl-6-(cyanomethyl)piperidin-2-yl]acetonitrile
CID 11118591
3-[(2R,3S)-1-benzyl-3-methyl-4-oxo-2,3-dihydroquinolin-2-yl]propanenitrile
CID 122220810
3-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile
CID 2218151
2-phenylacetonitrile;pyridine
CID 22283000
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile?
The IUPAC name of 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile (CID 100950304) is 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile.
What is the SMILES notation for 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile?
The canonical SMILES for 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile is C[C@]1(c2ccncc2)OC[C@H](CCC#N)N1Cc1ccccc1.
What is the InChIKey of 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile?
The InChIKey is LNUDSBDLELAWQR-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(17-9-12-21-13-10-17)22(14-16-6-3-2-4-7-16)18(15-23-19)8-5-11-20/h2-4,6-7,9-10,12-13,18H,5,8,14-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile?
3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile has a molecular weight of 307.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S)-3-benzyl-2-methyl-2-pyridin-4-yl-1,3-oxazolidin-4-yl]propanenitrile is sourced from PubChem (CID 100950304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).