[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone

C26H17Cl2F3N2O2 — CID 175718555

IUPAC[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone
SMILESCc1cccc2c1ccn2C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C26H17Cl2F3N2O2/c1-15-3-2-4-23-21(15)9-10-33(23)24(34)17-7-5-16(6-8-17)22-14-25(35-32-22,26(29,30)31)18-11-19(27)13-20(28)12-18/h2-13H,14H2,1H3
InChIKeyJBXUQPSGNCMUFA-UHFFFAOYSA-N
MW517.33 g/mol
LogP7.53
Rot. Bonds3

About [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone

[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone (PubChem CID 175718555) has the molecular formula C26H17Cl2F3N2O2 and a molecular weight of 517.33 g/mol. Its IUPAC name is [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone
PubChem CID175718555
Molecular FormulaC26H17Cl2F3N2O2
Molecular Weight517.33 g/mol
Exact Mass516.06
IUPAC Name[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone
SMILESCc1cccc2c1ccn2C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1
InChIInChI=1S/C26H17Cl2F3N2O2/c1-15-3-2-4-23-21(15)9-10-33(23)24(34)17-7-5-16(6-8-17)22-14-25(35-32-22,26(29,30)31)18-11-19(27)13-20(28)12-18/h2-13H,14H2,1H3
InChIKeyJBXUQPSGNCMUFA-UHFFFAOYSA-N
XLogP7.53
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.33
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone?
The IUPAC name of [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone (CID 175718555) is [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone.
What is the SMILES notation for [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone?
The canonical SMILES for [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone is Cc1cccc2c1ccn2C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1.
What is the InChIKey of [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone?
The InChIKey is JBXUQPSGNCMUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2F3N2O2/c1-15-3-2-4-23-21(15)9-10-33(23)24(34)17-7-5-16(6-8-17)22-14-25(35-32-22,26(29,30)31)18-11-19(27)13-20(28)12-18/h2-13H,14H2,1H3.
What are the key properties of [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone?
[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone has a molecular weight of 517.33 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-(4-methylindol-1-yl)methanone is sourced from PubChem (CID 175718555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).