1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea

C19H21N3O3 — CID 94801412

IUPAC1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-14(16-7-3-2-4-8-16)20-18(23)21-17-9-5-6-15(12-17)13-22-10-11-25-19(22)24/h2-9,12,14H,10-11,13H2,1H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyXIZLEBIFSMSAMW-CQSZACIVSA-N
MW339.40 g/mol
LogP3.52
Rot. Bonds5

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

1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 94801412) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
PubChem CID94801412
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-14(16-7-3-2-4-8-16)20-18(23)21-17-9-5-6-15(12-17)13-22-10-11-25-19(22)24/h2-9,12,14H,10-11,13H2,1H3,(H2,20,21,23)/t14-/m1/s1
InChIKeyXIZLEBIFSMSAMW-CQSZACIVSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea with MolForge

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Related Compounds

2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
CID 110686496
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 47039681
1-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 52532141
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 47039701
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)propanamide
CID 47377794
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
CID 122151249
[1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-phenyl-2-(phenylmethoxycarbonylamino)propyl] acetate
CID 142657362
2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide
CID 47042436
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95314566
3-(2,3-dichlorophenyl)-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]propanamide
CID 47042427
1-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 75505388

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea (CID 94801412) is 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1ccccc1.
What is the InChIKey of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is XIZLEBIFSMSAMW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14(16-7-3-2-4-8-16)20-18(23)21-17-9-5-6-15(12-17)13-22-10-11-25-19(22)24/h2-9,12,14H,10-11,13H2,1H3,(H2,20,21,23)/t14-/m1/s1.
What are the key properties of 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea?
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 94801412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).