1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

C12H11F3N2O3 — CID 134096916

IUPAC1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CCOC1=O
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)16-11(19)17-9-4-5-20-10(9)18/h1-3,6,9H,4-5H2,(H2,16,17,19)
InChIKeyVQCGDPONFLKGMM-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.14
Rot. Bonds2

About 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 134096916) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID134096916
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)NC1CCOC1=O
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)16-11(19)17-9-4-5-20-10(9)18/h1-3,6,9H,4-5H2,(H2,16,17,19)
InChIKeyVQCGDPONFLKGMM-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
[8-[[3-(trifluoromethyl)phenyl]carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 134348344
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide
CID 143922291
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
2,4-dioxo-N-[3-(trifluoromethyl)phenyl]bicyclo[3.2.1]octane-3-carboxamide
CID 11587867
1-(oxan-4-ylidenemethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108913081
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41009155

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 134096916) is 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)NC1CCOC1=O.
What is the InChIKey of 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VQCGDPONFLKGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)16-11(19)17-9-4-5-20-10(9)18/h1-3,6,9H,4-5H2,(H2,16,17,19).
What are the key properties of 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 288.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxooxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 134096916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).