(5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione

C23H23F3N4O4 — CID 58719575

IUPAC(5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCCCc1c(OCCCN2C(=O)N[C@@](C)(c3ccccn3)C2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C23H23F3N4O4/c1-3-7-14-16(10-9-15-18(14)34-29-19(15)23(24,25)26)33-13-6-12-30-20(31)22(2,28-21(30)32)17-8-4-5-11-27-17/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H,28,32)/t22-/m0/s1
InChIKeyWBEWDVITLMXFQG-QFIPXVFZSA-N
MW476.46 g/mol
LogP4.43
Rot. Bonds8

About (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 58719575) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID58719575
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC Name(5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCCCc1c(OCCCN2C(=O)N[C@@](C)(c3ccccn3)C2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C23H23F3N4O4/c1-3-7-14-16(10-9-15-18(14)34-29-19(15)23(24,25)26)33-13-6-12-30-20(31)22(2,28-21(30)32)17-8-4-5-11-27-17/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H,28,32)/t22-/m0/s1
InChIKeyWBEWDVITLMXFQG-QFIPXVFZSA-N
XLogP4.43
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione 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-(5-(Methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)pyrazin-2-yl)acetic acid
CID 11503359
3-(1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)-1H-indol-5-yl)propanoic acid
CID 11525752
2-{6-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]-1H-indol-1-yl}ethanoic acid
CID 11612623
2-(6-(Methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)pyridin-3-yl)acetic acid
CID 11619338
4-[5-[5-[(3-Ethyl-1,2-benzoxazol-6-yl)oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491903
6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-[2-(2-oxo-imidazolidin-1-yl)-ethyl]-nicotinamide
CID 42629806
US10077272, Example 15
CID 136215401
1-[3-[[7-Propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione
CID 9978246
3-[3-[[7-Propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 10005243
1-[3-[[7-Propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione
CID 10091455
1-Phenyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione
CID 10096494
4,5-Dihydro-1-(3-(3-trifluoromethyl-7-propyl-benzisoxazol-6-yloxy)propyl)-2,6-pyrimidinedione
CID 10172965

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 58719575) is (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione is CCCc1c(OCCCN2C(=O)N[C@@](C)(c3ccccn3)C2=O)ccc2c(C(F)(F)F)noc12.
What is the InChIKey of (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is WBEWDVITLMXFQG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-3-7-14-16(10-9-15-18(14)34-29-19(15)23(24,25)26)33-13-6-12-30-20(31)22(2,28-21(30)32)17-8-4-5-11-27-17/h4-5,8-11H,3,6-7,12-13H2,1-2H3,(H,28,32)/t22-/m0/s1.
What are the key properties of (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 476.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 58719575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).