1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C20H23N3O4 — CID 55697871

IUPAC1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1ccc(OCCN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-6-8-18(9-7-15)26-12-10-22(2)19(24)21-16-4-3-5-17(14-16)23-11-13-27-20(23)25/h3-9,14H,10-13H2,1-2H3,(H,21,24)
InChIKeyXXDPIGNJCFPCRP-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.49
Rot. Bonds6

About 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 55697871) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID55697871
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1ccc(OCCN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-15-6-8-18(9-7-15)26-12-10-22(2)19(24)21-16-4-3-5-17(14-16)23-11-13-27-20(23)25/h3-9,14H,10-13H2,1-2H3,(H,21,24)
InChIKeyXXDPIGNJCFPCRP-UHFFFAOYSA-N
XLogP3.49
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea with MolForge

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Related Compounds

1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 55696713
2-(4-fluorophenoxy)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 39140496
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
2-(4-methylphenoxy)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 110363436
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55698026
(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 52539601
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 138998359
2,2,3,3-tetrafluoro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 103732683
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 55697871) is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is Cc1ccc(OCCN(C)C(=O)Nc2cccc(N3CCOC3=O)c2)cc1.
What is the InChIKey of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is XXDPIGNJCFPCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15-6-8-18(9-7-15)26-12-10-22(2)19(24)21-16-4-3-5-17(14-16)23-11-13-27-20(23)25/h3-9,14H,10-13H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 369.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 55697871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).