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

C16H17N3O3S — CID 51080414

IUPAC1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H17N3O3S/c1-18(10-12-5-8-23-11-12)15(20)17-13-3-2-4-14(9-13)19-6-7-22-16(19)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,20)
InChIKeyOUNQDUHSXKEXJL-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.37
Rot. Bonds4

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

1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 51080414) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea
PubChem CID51080414
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C16H17N3O3S/c1-18(10-12-5-8-23-11-12)15(20)17-13-3-2-4-14(9-13)19-6-7-22-16(19)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,20)
InChIKeyOUNQDUHSXKEXJL-UHFFFAOYSA-N
XLogP3.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea (CID 51080414) is 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea is CN(Cc1ccsc1)C(=O)Nc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea?
The InChIKey is OUNQDUHSXKEXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-18(10-12-5-8-23-11-12)15(20)17-13-3-2-4-14(9-13)19-6-7-22-16(19)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,20).
What are the key properties of 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea?
1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 331.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 51080414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).