4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile

C20H18N2O4 — CID 70976414

IUPAC4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile
SMILESCCc1cc(Oc2ccc(C#N)cc2C)ccc1C[C@H]1OC(=O)NC1=O
InChIInChI=1S/C20H18N2O4/c1-3-14-9-16(25-17-7-4-13(11-21)8-12(17)2)6-5-15(14)10-18-19(23)22-20(24)26-18/h4-9,18H,3,10H2,1-2H3,(H,22,23,24)/t18-/m1/s1
InChIKeyCGRQZHWIBOFKTB-GOSISDBHSA-N
MW350.37 g/mol
LogP3.40
Rot. Bonds5

About 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile

4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile (PubChem CID 70976414) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile
PubChem CID70976414
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile
SMILESCCc1cc(Oc2ccc(C#N)cc2C)ccc1C[C@H]1OC(=O)NC1=O
InChIInChI=1S/C20H18N2O4/c1-3-14-9-16(25-17-7-4-13(11-21)8-12(17)2)6-5-15(14)10-18-19(23)22-20(24)26-18/h4-9,18H,3,10H2,1-2H3,(H,22,23,24)/t18-/m1/s1
InChIKeyCGRQZHWIBOFKTB-GOSISDBHSA-N
XLogP3.40
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile with MolForge

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Related Compounds

4-[3-(4-cyanophenoxy)-4-ethylphenoxy]benzonitrile
CID 19038454
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
5-[[4-(7-chloroquinolin-4-yl)oxy-2-propylphenyl]methyl]-1,3-oxazolidine-2,4-dione
CID 143665420
4-[[(3S)-3-(2,4-dioxo-1,3-thiazolidin-5-yl)-2,3-dihydro-1-benzofuran-6-yl]oxy]-3-methylbenzonitrile
CID 11610295
4-[[(4R)-4-(2,4-dioxo-1,3-thiazolidin-5-yl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3-methylbenzonitrile
CID 11545378
3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile
CID 11680414
4-[4-ethyl-3-(2,2,6,6-tetramethyl-3,5-dioxooxan-4-yl)phenoxy]benzonitrile
CID 90744023
3-methyl-4-(3-nitrophenoxy)benzonitrile
CID 54915744
4-(4-chloro-3-ethylphenoxy)-3-nitrobenzonitrile
CID 16960381
methoxyethane;4-methoxy-3-methylbenzonitrile
CID 142549662
4-[(4-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481488
4-[[2-(aminomethyl)-4-methoxyphenoxy]methyl]-3-methylbenzonitrile
CID 114479461

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile?
The IUPAC name of 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile (CID 70976414) is 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile.
What is the SMILES notation for 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile?
The canonical SMILES for 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile is CCc1cc(Oc2ccc(C#N)cc2C)ccc1C[C@H]1OC(=O)NC1=O.
What is the InChIKey of 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile?
The InChIKey is CGRQZHWIBOFKTB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-14-9-16(25-17-7-4-13(11-21)8-12(17)2)6-5-15(14)10-18-19(23)22-20(24)26-18/h4-9,18H,3,10H2,1-2H3,(H,22,23,24)/t18-/m1/s1.
What are the key properties of 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile?
4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile has a molecular weight of 350.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(5R)-2,4-dioxo-1,3-oxazolidin-5-yl]methyl]-3-ethylphenoxy]-3-methylbenzonitrile is sourced from PubChem (CID 70976414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).