4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile

C18H17N3O2 — CID 71990931

IUPAC4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile
SMILESCC(Nc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O2/c1-13(15-4-2-14(12-19)3-5-15)20-16-6-8-17(9-7-16)21-10-11-23-18(21)22/h2-9,13,20H,10-11H2,1H3
InChIKeyPCGWQDNTLKTXGO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.69
Rot. Bonds4

About 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile

4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile (PubChem CID 71990931) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile
PubChem CID71990931
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile
SMILESCC(Nc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O2/c1-13(15-4-2-14(12-19)3-5-15)20-16-6-8-17(9-7-16)21-10-11-23-18(21)22/h2-9,13,20H,10-11H2,1H3
InChIKeyPCGWQDNTLKTXGO-UHFFFAOYSA-N
XLogP3.69
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(1R)-1-[4-(difluoromethylsulfonyl)anilino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 95586363
3-[4-[1-(methylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295265
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 75497970
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
CID 140562888
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60545573
4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942779
3-[4-[(1S)-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97306715
1-[(1R)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 129369386
3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 62090156
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile (CID 71990931) is 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile is CC(Nc1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile?
The InChIKey is PCGWQDNTLKTXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(15-4-2-14(12-19)3-5-15)20-16-6-8-17(9-7-16)21-10-11-23-18(21)22/h2-9,13,20H,10-11H2,1H3.
What are the key properties of 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile?
4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile is sourced from PubChem (CID 71990931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).