5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole

C13H12Cl2F3NO — CID 132967293

IUPAC5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NOC(c2c(Cl)cc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C13H12Cl2F3NO/c1-6(2)10-5-11(20-19-10)12-8(14)3-7(4-9(12)15)13(16,17)18/h3-4,6,11H,5H2,1-2H3
InChIKeyNOVVLSRXNPKYSJ-UHFFFAOYSA-N
MW326.15 g/mol
LogP5.49
Rot. Bonds2

About 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole

5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 132967293) has the molecular formula C13H12Cl2F3NO and a molecular weight of 326.15 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID132967293
Molecular FormulaC13H12Cl2F3NO
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1=NOC(c2c(Cl)cc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C13H12Cl2F3NO/c1-6(2)10-5-11(20-19-10)12-8(14)3-7(4-9(12)15)13(16,17)18/h3-4,6,11H,5H2,1-2H3
InChIKeyNOVVLSRXNPKYSJ-UHFFFAOYSA-N
XLogP5.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.15
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-propan-2-yl-3,4-dihydropyrazole-3-carbaldehyde
CID 174247118
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753
1-chloro-3-methylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584199
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
CID 56570581
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
1,3-dichloro-2-(3,5-diiodo-4-methylpentyl)-5-(trifluoromethyl)benzene
CID 174285849
1,2,3-trichloro-5-(trifluoromethyl)benzene;1,2,3-trifluoro-5-(trifluoromethyl)benzene
CID 157268578
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 132967293) is 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)C1=NOC(c2c(Cl)cc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is NOVVLSRXNPKYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F3NO/c1-6(2)10-5-11(20-19-10)12-8(14)3-7(4-9(12)15)13(16,17)18/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole?
5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 326.15 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 132967293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).