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

C17H18N4O3 — CID 60545573

IUPAC1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccncc1
InChIInChI=1S/C17H18N4O3/c1-12(13-6-8-18-9-7-13)19-16(22)20-14-2-4-15(5-3-14)21-10-11-24-17(21)23/h2-9,12H,10-11H2,1H3,(H2,19,20,22)
InChIKeyRHIKUUDFPVVGGP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.92
Rot. Bonds4

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

1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea (PubChem CID 60545573) 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-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
PubChem CID60545573
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccncc1
InChIInChI=1S/C17H18N4O3/c1-12(13-6-8-18-9-7-13)19-16(22)20-14-2-4-15(5-3-14)21-10-11-24-17(21)23/h2-9,12H,10-11H2,1H3,(H2,19,20,22)
InChIKeyRHIKUUDFPVVGGP-UHFFFAOYSA-N
XLogP2.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 129369386
3-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 94029882
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazine-2-carboxamide
CID 110668697
1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
CID 95163705
1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 60545931
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60612014
1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 60545929
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]urea
CID 97201711
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 60545598

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea (CID 60545573) is 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)Nc1ccc(N2CCOC2=O)cc1)c1ccncc1.
What is the InChIKey of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is RHIKUUDFPVVGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(13-6-8-18-9-7-13)19-16(22)20-14-2-4-15(5-3-14)21-10-11-24-17(21)23/h2-9,12H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 326.36 g/mol, XLogP of 2.92, 4 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-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 60545573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).