1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea

C14H17F3N2O3 — CID 119073218

IUPAC1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea
SMILESCCN(C(=O)NCc1cc(F)c(F)cc1F)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H17F3N2O3/c1-2-19(12-6-22-7-13(12)20)14(21)18-5-8-3-10(16)11(17)4-9(8)15/h3-4,12-13,20H,2,5-7H2,1H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyFKISVLNUHICYAZ-STQMWFEESA-N
MW318.30 g/mol
LogP1.40
Rot. Bonds4

About 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea

1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea (PubChem CID 119073218) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea
PubChem CID119073218
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea
SMILESCCN(C(=O)NCc1cc(F)c(F)cc1F)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H17F3N2O3/c1-2-19(12-6-22-7-13(12)20)14(21)18-5-8-3-10(16)11(17)4-9(8)15/h3-4,12-13,20H,2,5-7H2,1H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyFKISVLNUHICYAZ-STQMWFEESA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)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

N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 75536579
N-benzyl-N-[[[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methylamino]methyl]acetamide
CID 71452507
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75410015
N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 75536588
1-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536729
1-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536740
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536752
1-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75410014
(3R,4S)-4-(((S)-1-Phenylethyl)amino)tetrahydrofuran-3-ol
CID 59896143
(3S,4R)-4-(((R)-1-Phenylethyl)amino)tetrahydrofuran-3-ol
CID 134861845
(3R*,4S*)-4-[(3,4-difluorobenzyl)(ethyl)amino]tetrahydrofuran-3-ol
CID 74241402
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide
CID 75410006

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea?
The IUPAC name of 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea (CID 119073218) is 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea is CCN(C(=O)NCc1cc(F)c(F)cc1F)[C@H]1COC[C@@H]1O.
What is the InChIKey of 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea?
The InChIKey is FKISVLNUHICYAZ-STQMWFEESA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-2-19(12-6-22-7-13(12)20)14(21)18-5-8-3-10(16)11(17)4-9(8)15/h3-4,12-13,20H,2,5-7H2,1H3,(H,18,21)/t12-,13-/m0/s1.
What are the key properties of 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea?
1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea has a molecular weight of 318.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[(2,4,5-trifluorophenyl)methyl]urea is sourced from PubChem (CID 119073218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).