1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea

C19H19Cl2N3O5 — CID 16923177

IUPAC1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1OC
InChIInChI=1S/C19H19Cl2N3O5/c1-27-16-5-3-4-15(17(16)28-2)23-18(25)22-9-12-10-24(19(26)29-12)11-6-7-13(20)14(21)8-11/h3-8,12H,9-10H2,1-2H3,(H2,22,23,25)
InChIKeyXKWLZCBMJFAIQQ-UHFFFAOYSA-N
MW440.28 g/mol
LogP4.16
Rot. Bonds6

About 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea

1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea (PubChem CID 16923177) has the molecular formula C19H19Cl2N3O5 and a molecular weight of 440.28 g/mol. Its IUPAC name is 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea
PubChem CID16923177
Molecular FormulaC19H19Cl2N3O5
Molecular Weight440.28 g/mol
Exact Mass439.07
IUPAC Name1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1OC
InChIInChI=1S/C19H19Cl2N3O5/c1-27-16-5-3-4-15(17(16)28-2)23-18(25)22-9-12-10-24(19(26)29-12)11-6-7-13(20)14(21)8-11/h3-8,12H,9-10H2,1-2H3,(H2,22,23,25)
InChIKeyXKWLZCBMJFAIQQ-UHFFFAOYSA-N
XLogP4.16
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
CID 110328345
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 110328339
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328338
1-(2,3-dimethoxyphenyl)-3-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913422
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
1-(1,3-benzodioxol-5-yl)-3-[[2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]urea
CID 16923325
methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805
N-[[(5S)-3-(4-iodo-3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57270308
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
1-[(3,4-dimethoxyphenyl)methyl]-3-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 40839250
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920424
(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea?
The IUPAC name of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea (CID 16923177) is 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea?
The canonical SMILES for 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea is COc1cccc(NC(=O)NCC2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1OC.
What is the InChIKey of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea?
The InChIKey is XKWLZCBMJFAIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O5/c1-27-16-5-3-4-15(17(16)28-2)23-18(25)22-9-12-10-24(19(26)29-12)11-6-7-13(20)14(21)8-11/h3-8,12H,9-10H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea?
1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea has a molecular weight of 440.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2,3-dimethoxyphenyl)urea is sourced from PubChem (CID 16923177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).