(3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile

C15H17N3O3 — CID 10062586

IUPAC(3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile
SMILESCOc1ccc([C@H]2C[C@H](C#N)ON2CCC#N)cc1OC
InChIInChI=1S/C15H17N3O3/c1-19-14-5-4-11(8-15(14)20-2)13-9-12(10-17)21-18(13)7-3-6-16/h4-5,8,12-13H,3,7,9H2,1-2H3/t12-,13-/m1/s1
InChIKeyRXYOLYAJYZRQNS-CHWSQXEVSA-N
MW287.32 g/mol
LogP2.19
Rot. Bonds5

About (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile

(3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile (PubChem CID 10062586) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile.

Molecular Properties

Compound Name(3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile
PubChem CID10062586
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile
SMILESCOc1ccc([C@H]2C[C@H](C#N)ON2CCC#N)cc1OC
InChIInChI=1S/C15H17N3O3/c1-19-14-5-4-11(8-15(14)20-2)13-9-12(10-17)21-18(13)7-3-6-16/h4-5,8,12-13H,3,7,9H2,1-2H3/t12-,13-/m1/s1
InChIKeyRXYOLYAJYZRQNS-CHWSQXEVSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-4-carbonitrile
CID 10016905
3-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]propanenitrile
CID 94698512
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
2-(3,4-dimethoxyphenyl)-1-phenylaziridine
CID 10682448
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(3R,4R)-2-(2-cyanoethyl)-3-(4-methoxyphenyl)-1,2-oxazolidine-4-carbonitrile
CID 13131099
(3S,4R)-2-(2-cyanoethyl)-3-(4-methoxyphenyl)-1,2-oxazolidine-4-carbonitrile
CID 131863197
2-(3,4-dimethoxyphenyl)-1-methyl-2,3-dihydropyrrole
CID 175962476
3-(3,4-dimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
CID 3352701
1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
CID 134001152
2-[4-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980138
2-(3,4-dimethoxyphenyl)-1-methyl-1,4-diazepane
CID 82623166

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile?
The IUPAC name of (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile (CID 10062586) is (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile.
What is the SMILES notation for (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile?
The canonical SMILES for (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile is COc1ccc([C@H]2C[C@H](C#N)ON2CCC#N)cc1OC.
What is the InChIKey of (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile?
The InChIKey is RXYOLYAJYZRQNS-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-19-14-5-4-11(8-15(14)20-2)13-9-12(10-17)21-18(13)7-3-6-16/h4-5,8,12-13H,3,7,9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile?
(3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazolidine-5-carbonitrile is sourced from PubChem (CID 10062586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).