2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide

C22H18Cl2F3N3O3 — CID 10323705

IUPAC2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1ccc(-c2cnc(-c3c(N4CCOCC4)cccc3C(F)(F)F)o2)cc1)C(Cl)Cl
InChIInChI=1S/C22H18Cl2F3N3O3/c23-19(24)20(31)29-14-6-4-13(5-7-14)17-12-28-21(33-17)18-15(22(25,26)27)2-1-3-16(18)30-8-10-32-11-9-30/h1-7,12,19H,8-11H2,(H,29,31)
InChIKeyUAADIYHPDLONJA-UHFFFAOYSA-N
MW500.30 g/mol
LogP5.61
Rot. Bonds5

About 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide

2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide (PubChem CID 10323705) has the molecular formula C22H18Cl2F3N3O3 and a molecular weight of 500.30 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
PubChem CID10323705
Molecular FormulaC22H18Cl2F3N3O3
Molecular Weight500.30 g/mol
Exact Mass499.07
IUPAC Name2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1ccc(-c2cnc(-c3c(N4CCOCC4)cccc3C(F)(F)F)o2)cc1)C(Cl)Cl
InChIInChI=1S/C22H18Cl2F3N3O3/c23-19(24)20(31)29-14-6-4-13(5-7-14)17-12-28-21(33-17)18-15(22(25,26)27)2-1-3-16(18)30-8-10-32-11-9-30/h1-7,12,19H,8-11H2,(H,29,31)
InChIKeyUAADIYHPDLONJA-UHFFFAOYSA-N
XLogP5.61
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.30
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide (CID 10323705) is 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide is O=C(Nc1ccc(-c2cnc(-c3c(N4CCOCC4)cccc3C(F)(F)F)o2)cc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
The InChIKey is UAADIYHPDLONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2F3N3O3/c23-19(24)20(31)29-14-6-4-13(5-7-14)17-12-28-21(33-17)18-15(22(25,26)27)2-1-3-16(18)30-8-10-32-11-9-30/h1-7,12,19H,8-11H2,(H,29,31).
What are the key properties of 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide?
2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide has a molecular weight of 500.30 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-[2-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 10323705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).