(Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol

C23H24ClF3N2O5 — CID 142964051

IUPAC(Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol
SMILESCOc1c(Cl)cc(OC/C=C(/C)O)cc1C1=NOC(C)(CCOc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C23H24ClF3N2O5/c1-14(30)6-8-32-16-10-17(21(31-3)18(24)11-16)19-12-22(2,34-29-19)7-9-33-20-5-4-15(13-28-20)23(25,26)27/h4-6,10-11,13,30H,7-9,12H2,1-3H3/b14-6-
InChIKeyLLCALMHQRWZCKC-NSIKDUERSA-N
MW500.90 g/mol
LogP5.96
Rot. Bonds9

About (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol

(Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol (PubChem CID 142964051) has the molecular formula C23H24ClF3N2O5 and a molecular weight of 500.90 g/mol. Its IUPAC name is (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol.

Molecular Properties

Compound Name(Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol
PubChem CID142964051
Molecular FormulaC23H24ClF3N2O5
Molecular Weight500.90 g/mol
Exact Mass500.13
IUPAC Name(Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol
SMILESCOc1c(Cl)cc(OC/C=C(/C)O)cc1C1=NOC(C)(CCOc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C23H24ClF3N2O5/c1-14(30)6-8-32-16-10-17(21(31-3)18(24)11-16)19-12-22(2,34-29-19)7-9-33-20-5-4-15(13-28-20)23(25,26)27/h4-6,10-11,13,30H,7-9,12H2,1-3H3/b14-6-
InChIKeyLLCALMHQRWZCKC-NSIKDUERSA-N
XLogP5.96
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.90
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol 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-[3-[2-chloro-4-(3-chloro-3-fluoroprop-2-enoxy)-6-methylphenoxy]propoxy]-5-(trifluoromethyl)pyridine
CID 54038325
1-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenyl]ethanone
CID 10217782
1-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butoxy]phenyl]ethanone
CID 22318626
3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]benzoic acid
CID 22318624
2-[3-[4-(3,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenoxy]propoxy]-5-(trifluoromethyl)pyridine
CID 139730213
3-[3-(3,3-dichloroprop-2-enoxy)-5-(trifluoromethyl)phenyl]-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propyl]-4,5-dihydro-1,2-oxazole
CID 58878873
3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
CID 21466401
3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
CID 18504619
2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246
2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole
CID 141105448
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466475

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol?
The IUPAC name of (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol (CID 142964051) is (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol.
What is the SMILES notation for (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol?
The canonical SMILES for (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol is COc1c(Cl)cc(OC/C=C(/C)O)cc1C1=NOC(C)(CCOc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol?
The InChIKey is LLCALMHQRWZCKC-NSIKDUERSA-N. The full InChI is InChI=1S/C23H24ClF3N2O5/c1-14(30)6-8-32-16-10-17(21(31-3)18(24)11-16)19-12-22(2,34-29-19)7-9-33-20-5-4-15(13-28-20)23(25,26)27/h4-6,10-11,13,30H,7-9,12H2,1-3H3/b14-6-.
What are the key properties of (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol?
(Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol has a molecular weight of 500.90 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-chloro-4-methoxy-5-[5-methyl-5-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4H-1,2-oxazol-3-yl]phenoxy]but-2-en-2-ol is sourced from PubChem (CID 142964051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).