5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one

C14H19ClN2O3 — CID 62073547

IUPAC5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNC(C)c1cc(Cl)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C14H19ClN2O3/c1-3-16-9(2)12-6-10(15)4-5-13(12)19-8-11-7-17-14(18)20-11/h4-6,9,11,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyUPKYOSLBAQSUTR-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.50
Rot. Bonds6

About 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 62073547) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID62073547
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNC(C)c1cc(Cl)ccc1OCC1CNC(=O)O1
InChIInChI=1S/C14H19ClN2O3/c1-3-16-9(2)12-6-10(15)4-5-13(12)19-8-11-7-17-14(18)20-11/h4-6,9,11,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyUPKYOSLBAQSUTR-UHFFFAOYSA-N
XLogP2.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one 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

5-[[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63364467
5-[[2-[1-(ethylamino)ethyl]-5-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 63640817
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21496492
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
5-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 60878892
5-[[2-[(1R)-1-aminoethyl]-4-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 78936648
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82911019
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
1-(5-chloro-2-hexoxyphenyl)-N-ethylethanamine
CID 55194219
5-[[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63326915
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 62073547) is 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one is CCNC(C)c1cc(Cl)ccc1OCC1CNC(=O)O1.
What is the InChIKey of 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is UPKYOSLBAQSUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-16-9(2)12-6-10(15)4-5-13(12)19-8-11-7-17-14(18)20-11/h4-6,9,11,16H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 298.77 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62073547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).