7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine

C14H8ClF3N2O — CID 129201835

IUPAC7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
SMILESNc1ccc(Cl)c2oc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H8ClF3N2O/c15-9-5-6-10(19)11-12(9)21-13(20-11)7-1-3-8(4-2-7)14(16,17)18/h1-6H,19H2
InChIKeyHOFODPIKUZCTAJ-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.75
Rot. Bonds1

About 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine

7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine (PubChem CID 129201835) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
PubChem CID129201835
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
SMILESNc1ccc(Cl)c2oc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H8ClF3N2O/c15-9-5-6-10(19)11-12(9)21-13(20-11)7-1-3-8(4-2-7)14(16,17)18/h1-6H,19H2
InChIKeyHOFODPIKUZCTAJ-UHFFFAOYSA-N
XLogP4.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 145013764
5-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201833
5,7-dichloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine;N,N-dimethylformamide
CID 158413149
4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane
CID 145013765
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 94979363
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 155675192
2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one
CID 3983355
4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 10691278
2-chloro-5-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]aniline
CID 82569503

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine (CID 129201835) is 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine is Nc1ccc(Cl)c2oc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The InChIKey is HOFODPIKUZCTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-9-5-6-10(19)11-12(9)21-13(20-11)7-1-3-8(4-2-7)14(16,17)18/h1-6H,19H2.
What are the key properties of 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine has a molecular weight of 312.68 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 129201835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).