1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea

C15H20F3N3O3 — CID 94029250

IUPAC1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
SMILESC[C@H](NC(=O)NCc1cccnc1OCC(F)(F)F)[C@H]1CCCO1
InChIInChI=1S/C15H20F3N3O3/c1-10(12-5-3-7-23-12)21-14(22)20-8-11-4-2-6-19-13(11)24-9-15(16,17)18/h2,4,6,10,12H,3,5,7-9H2,1H3,(H2,20,21,22)/t10-,12+/m0/s1
InChIKeyIXLJBUVKJJFXGG-CMPLNLGQSA-N
MW347.34 g/mol
LogP2.39
Rot. Bonds6

About 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea

1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea (PubChem CID 94029250) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
PubChem CID94029250
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
SMILESC[C@H](NC(=O)NCc1cccnc1OCC(F)(F)F)[C@H]1CCCO1
InChIInChI=1S/C15H20F3N3O3/c1-10(12-5-3-7-23-12)21-14(22)20-8-11-4-2-6-19-13(11)24-9-15(16,17)18/h2,4,6,10,12H,3,5,7-9H2,1H3,(H2,20,21,22)/t10-,12+/m0/s1
InChIKeyIXLJBUVKJJFXGG-CMPLNLGQSA-N
XLogP2.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94059341
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95568571
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95568574
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
1-[(5-methylthiophen-2-yl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 55793336
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 120797967
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119847133
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119847157
(2R)-2-pyrazol-1-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 94022211
2-phenylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55613812

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea (CID 94029250) is 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea is C[C@H](NC(=O)NCc1cccnc1OCC(F)(F)F)[C@H]1CCCO1.
What is the InChIKey of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
The InChIKey is IXLJBUVKJJFXGG-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-10(12-5-3-7-23-12)21-14(22)20-8-11-4-2-6-19-13(11)24-9-15(16,17)18/h2,4,6,10,12H,3,5,7-9H2,1H3,(H2,20,21,22)/t10-,12+/m0/s1.
What are the key properties of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea?
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea has a molecular weight of 347.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 94029250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).