1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea

C18H20N4O3 — CID 95296561

IUPAC1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C18H20N4O3/c1-13(14-6-5-9-19-12-14)21(2)17(23)20-15-7-3-4-8-16(15)22-10-11-25-18(22)24/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyBOZTWNNTMQZROO-ZDUSSCGKSA-N
MW340.38 g/mol
LogP3.26
Rot. Bonds4

About 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea

1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 95296561) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID95296561
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C18H20N4O3/c1-13(14-6-5-9-19-12-14)21(2)17(23)20-15-7-3-4-8-16(15)22-10-11-25-18(22)24/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyBOZTWNNTMQZROO-ZDUSSCGKSA-N
XLogP3.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95239166
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 167878865
2-[2-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609625
(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
CID 99927510
1-methyl-3-(1-prop-2-enylpiperidin-4-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95614231
N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 60617132
1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 96952425
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]-1-methylurea
CID 51945422
2-fluoro-N-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)benzamide
CID 167975644
1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
CID 95163705
N-[1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-pyridin-3-ylpropanamide
CID 48822167

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea (CID 95296561) is 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea is C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccccc1N1CCOC1=O.
What is the InChIKey of 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is BOZTWNNTMQZROO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(14-6-5-9-19-12-14)21(2)17(23)20-15-7-3-4-8-16(15)22-10-11-25-18(22)24/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea?
1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 340.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 95296561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).