1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C18H21N3O4 — CID 167878865

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1cc(C(C)NC(=O)Nc2ccccc2N2CCOC2=O)c(C)o1
InChIInChI=1S/C18H21N3O4/c1-11-10-14(13(3)25-11)12(2)19-17(22)20-15-6-4-5-7-16(15)21-8-9-24-18(21)23/h4-7,10,12H,8-9H2,1-3H3,(H2,19,20,22)
InChIKeyIVYLAFNWIUKHTA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.74
Rot. Bonds4

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 167878865) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID167878865
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESCc1cc(C(C)NC(=O)Nc2ccccc2N2CCOC2=O)c(C)o1
InChIInChI=1S/C18H21N3O4/c1-11-10-14(13(3)25-11)12(2)19-17(22)20-15-6-4-5-7-16(15)21-8-9-24-18(21)23/h4-7,10,12H,8-9H2,1-3H3,(H2,19,20,22)
InChIKeyIVYLAFNWIUKHTA-UHFFFAOYSA-N
XLogP3.74
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea with MolForge

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Related Compounds

(2R)-2-(2,5-dimethylfuran-3-yl)-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 95160900
2-[2-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609625
3-[3-[(1R)-1-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97230987
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
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-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 95336400
(2Z,4E)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]hexa-2,4-dienamide
CID 99927510
N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
CID 95129775
1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95296561
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86856561
1-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-quinolin-8-ylurea
CID 95163705
4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
CID 95118026

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 167878865) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is Cc1cc(C(C)NC(=O)Nc2ccccc2N2CCOC2=O)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is IVYLAFNWIUKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-10-14(13(3)25-11)12(2)19-17(22)20-15-6-4-5-7-16(15)21-8-9-24-18(21)23/h4-7,10,12H,8-9H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 343.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 167878865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).