1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

C15H19F3N2O3 — CID 95323347

IUPAC1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@@H]2CCOC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-22-12-3-2-11(13(6-12)15(16,17)18)8-20-14(21)19-7-10-4-5-23-9-10/h2-3,6,10H,4-5,7-9H2,1H3,(H2,19,20,21)/t10-/m0/s1
InChIKeyRCSZFZLUIUQIHA-JTQLQIEISA-N
MW332.32 g/mol
LogP2.55
Rot. Bonds5

About 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 95323347) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID95323347
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@@H]2CCOC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-22-12-3-2-11(13(6-12)15(16,17)18)8-20-14(21)19-7-10-4-5-23-9-10/h2-3,6,10H,4-5,7-9H2,1H3,(H2,19,20,21)/t10-/m0/s1
InChIKeyRCSZFZLUIUQIHA-JTQLQIEISA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]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

2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119767143
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]urea
CID 97321321
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 167837881
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 87039140
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1,2-dimethyl-3-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109386515
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (CID 95323347) is 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is COc1ccc(CNC(=O)NC[C@@H]2CCOC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is RCSZFZLUIUQIHA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-22-12-3-2-11(13(6-12)15(16,17)18)8-20-14(21)19-7-10-4-5-23-9-10/h2-3,6,10H,4-5,7-9H2,1H3,(H2,19,20,21)/t10-/m0/s1.
What are the key properties of 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 332.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 95323347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).