5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C19H15ClF3NO2 — CID 69172323

IUPAC5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc(CCl)c1
InChIInChI=1S/C19H15ClF3NO2/c1-12-17(11-25-16-4-2-3-13(9-16)10-20)26-18(24-12)14-5-7-15(8-6-14)19(21,22)23/h2-9H,10-11H2,1H3
InChIKeyKWMVRLNMTMPMOS-UHFFFAOYSA-N
MW381.78 g/mol
LogP5.99
Rot. Bonds5

About 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 69172323) has the molecular formula C19H15ClF3NO2 and a molecular weight of 381.78 g/mol. Its IUPAC name is 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID69172323
Molecular FormulaC19H15ClF3NO2
Molecular Weight381.78 g/mol
Exact Mass381.07
IUPAC Name5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc(CCl)c1
InChIInChI=1S/C19H15ClF3NO2/c1-12-17(11-25-16-4-2-3-13(9-16)10-20)26-18(24-12)14-5-7-15(8-6-14)19(21,22)23/h2-9H,10-11H2,1H3
InChIKeyKWMVRLNMTMPMOS-UHFFFAOYSA-N
XLogP5.99
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.78
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]acetic acid
CID 58626626
[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]phenyl]methyl-morpholin-4-ylsulfonylamino] acetate
CID 87798368
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-2-one
CID 67695187
5-(2-bromoethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 174698840
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
CID 23125399
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-1-one
CID 10572402
[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate
CID 69171180
1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171905
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
3-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2-carboxylic acid
CID 162585116
3-methyl-3-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]butan-2-one
CID 23549134

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 69172323) is 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1cccc(CCl)c1.
What is the InChIKey of 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is KWMVRLNMTMPMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO2/c1-12-17(11-25-16-4-2-3-13(9-16)10-20)26-18(24-12)14-5-7-15(8-6-14)19(21,22)23/h2-9H,10-11H2,1H3.
What are the key properties of 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 381.78 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 69172323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).