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

C19H17F6N3O2 — CID 123135758

IUPAC1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)N[C@H]1CCOC1
InChIInChI=1S/C19H17F6N3O2/c20-18(21,22)12-5-3-11(4-6-12)15(28-17(29)27-13-7-9-30-10-13)16-14(19(23,24)25)2-1-8-26-16/h1-6,8,13,15H,7,9-10H2,(H2,27,28,29)/t13-,15?/m0/s1
InChIKeyNQXZXHMBROJCCQ-CFMCSPIPSA-N
MW433.35 g/mol
LogP4.30
Rot. Bonds4

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

1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea (PubChem CID 123135758) has the molecular formula C19H17F6N3O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
PubChem CID123135758
Molecular FormulaC19H17F6N3O2
Molecular Weight433.35 g/mol
Exact Mass433.12
IUPAC Name1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
SMILESO=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)N[C@H]1CCOC1
InChIInChI=1S/C19H17F6N3O2/c20-18(21,22)12-5-3-11(4-6-12)15(28-17(29)27-13-7-9-30-10-13)16-14(19(23,24)25)2-1-8-26-16/h1-6,8,13,15H,7,9-10H2,(H2,27,28,29)/t13-,15?/m0/s1
InChIKeyNQXZXHMBROJCCQ-CFMCSPIPSA-N
XLogP4.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-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-[(S)-[4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-3-(oxan-3-yl)urea
CID 90350400
1-[(2S)-3-methylbutan-2-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 89310502
4-hydroxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 89310317
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572
3-[[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]propanoic acid
CID 89311002
methyl (2S)-3-methyl-2-[[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]butanoate
CID 89310762
methyl 3-methyl-2-[[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]butanoate
CID 89310763
4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 123503906
methyl 2-[[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]butanoate
CID 159164409
1-thiophen-2-yl-3-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea;2,2,2-trifluoroacetic acid
CID 157120681
1-quinolin-4-yl-3-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 71487105
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 89310617

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The IUPAC name of 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea (CID 123135758) is 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea is O=C(NC(c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F)N[C@H]1CCOC1.
What is the InChIKey of 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The InChIKey is NQXZXHMBROJCCQ-CFMCSPIPSA-N. The full InChI is InChI=1S/C19H17F6N3O2/c20-18(21,22)12-5-3-11(4-6-12)15(28-17(29)27-13-7-9-30-10-13)16-14(19(23,24)25)2-1-8-26-16/h1-6,8,13,15H,7,9-10H2,(H2,27,28,29)/t13-,15?/m0/s1.
What are the key properties of 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea?
1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea has a molecular weight of 433.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-oxolan-3-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea is sourced from PubChem (CID 123135758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).