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

C16H16ClN3O3S — CID 16923127

IUPAC1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C16H16ClN3O3S/c17-11-3-1-4-12(7-11)20-10-13(23-16(20)22)8-18-15(21)19-9-14-5-2-6-24-14/h1-7,13H,8-10H2,(H2,18,19,21)
InChIKeyDQYYRCOMGVZBAO-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.23
Rot. Bonds5

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

1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 16923127) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID16923127
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C16H16ClN3O3S/c17-11-3-1-4-12(7-11)20-10-13(23-16(20)22)8-18-15(21)19-9-14-5-2-6-24-14/h1-7,13H,8-10H2,(H2,18,19,21)
InChIKeyDQYYRCOMGVZBAO-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
CID 40926285
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921016
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]oxolane-2-carboxamide
CID 110327953
benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16921139
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110328025
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 16921039
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide
CID 110327955

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 16923127) is 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCC1CN(c2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is DQYYRCOMGVZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-11-3-1-4-12(7-11)20-10-13(23-16(20)22)8-18-15(21)19-9-14-5-2-6-24-14/h1-7,13H,8-10H2,(H2,18,19,21).
What are the key properties of 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 365.84 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 16923127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).