1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea

C17H18N4O3 — CID 60545752

IUPAC1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C17H18N4O3/c22-16(19-10-8-13-3-1-2-9-18-13)20-14-4-6-15(7-5-14)21-11-12-24-17(21)23/h1-7,9H,8,10-12H2,(H2,19,20,22)
InChIKeyKICCQBZGYBDOMJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.40
Rot. Bonds5

About 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea

1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 60545752) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID60545752
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C17H18N4O3/c22-16(19-10-8-13-3-1-2-9-18-13)20-14-4-6-15(7-5-14)21-11-12-24-17(21)23/h1-7,9H,8,10-12H2,(H2,19,20,22)
InChIKeyKICCQBZGYBDOMJ-UHFFFAOYSA-N
XLogP2.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60612010
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazine-2-carboxamide
CID 110668697
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 110618978
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea (CID 60545752) is 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea is O=C(NCCc1ccccn1)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is KICCQBZGYBDOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(19-10-8-13-3-1-2-9-18-13)20-14-4-6-15(7-5-14)21-11-12-24-17(21)23/h1-7,9H,8,10-12H2,(H2,19,20,22).
What are the key properties of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea?
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 326.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 60545752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).