1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea

C18H18ClN3O3 — CID 40839257

IUPAC1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC[C@H]2CN(c3cccc(Cl)c3)C(=O)O2)c1
InChIInChI=1S/C18H18ClN3O3/c1-12-4-2-6-14(8-12)21-17(23)20-10-16-11-22(18(24)25-16)15-7-3-5-13(19)9-15/h2-9,16H,10-11H2,1H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyFGFMMZCTACKDLQ-INIZCTEOSA-N
MW359.81 g/mol
LogP3.80
Rot. Bonds4

About 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea

1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea (PubChem CID 40839257) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea
PubChem CID40839257
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC[C@H]2CN(c3cccc(Cl)c3)C(=O)O2)c1
InChIInChI=1S/C18H18ClN3O3/c1-12-4-2-6-14(8-12)21-17(23)20-10-16-11-22(18(24)25-16)15-7-3-5-13(19)9-15/h2-9,16H,10-11H2,1H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyFGFMMZCTACKDLQ-INIZCTEOSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea with MolForge

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Related Compounds

3-(3-Chlorophenyl)-1-(2-fluorobenzyl)-1-[3-(morpholin-4-yl)propyl]urea
CID 664634
US11059822, Example 12
CID 155613711
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-chlorophenyl)ethyl)phenyl)-
CID 3069252
N-Benzyl-N-butyl-N'-(3-chlorophenyl)urea
CID 13733049
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-chloro-4-fluorophenyl)ethyl)phenyl)-, monohydrochloride
CID 3069253
2-Oxazolidinone, 3-(4-(2-(3-chlorophenyl)ethenyl)phenyl)-5-((methylamino)methyl)-, monohydrochloride
CID 6448231
1-(N-acetyl-3-chloroanilino)butan-2-yl N-benzylcarbamate
CID 10981648
1-((3-(4-Fluorophenyl)-2-oxooxazolidin-5-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 16923026
1-((3-(3,4-Dichlorophenyl)-2-oxooxazolidin-5-yl)methyl)-3-(4-fluorobenzyl)urea
CID 16923195
N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 42929230
4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 44455854
2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide
CID 47039688

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea (CID 40839257) is 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC[C@H]2CN(c3cccc(Cl)c3)C(=O)O2)c1.
What is the InChIKey of 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea?
The InChIKey is FGFMMZCTACKDLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12-4-2-6-14(8-12)21-17(23)20-10-16-11-22(18(24)25-16)15-7-3-5-13(19)9-15/h2-9,16H,10-11H2,1H3,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea?
1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea has a molecular weight of 359.81 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 40839257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).