1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea

C16H21F3N2O2 — CID 95339702

IUPAC1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(C)(NC(=O)NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,12-4-3-5-13(8-12)16(17,18)19)21-14(22)20-9-11-6-7-23-10-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,20,21,22)/t11-/m1/s1
InChIKeyGVUNZZKGNVIWCT-LLVKDONJSA-N
MW330.35 g/mol
LogP3.28
Rot. Bonds4

About 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea

1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 95339702) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID95339702
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCC(C)(NC(=O)NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,12-4-3-5-13(8-12)16(17,18)19)21-14(22)20-9-11-6-7-23-10-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,20,21,22)/t11-/m1/s1
InChIKeyGVUNZZKGNVIWCT-LLVKDONJSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea with MolForge

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Related Compounds

N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 89484445
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
2-methyl-4-oxo-4-(oxolan-3-ylmethylamino)-2-phenylbutanoic acid
CID 60919544
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95323347
N-[[(3R)-oxolan-3-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 95154219
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
(E)-N-(oxolan-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]but-2-enamide
CID 132965548
2-chloro-N-[[(3S)-oxolan-3-yl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 94061212
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 95339702) is 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea is CC(C)(NC(=O)NC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is GVUNZZKGNVIWCT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,12-4-3-5-13(8-12)16(17,18)19)21-14(22)20-9-11-6-7-23-10-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,20,21,22)/t11-/m1/s1.
What are the key properties of 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea?
1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea has a molecular weight of 330.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-oxolan-3-yl]methyl]-3-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 95339702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).