2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine

C14H11FN2O — CID 168857392

IUPAC2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(CF)cc3)nc2c1
InChIInChI=1S/C14H11FN2O/c15-8-9-1-3-10(4-2-9)14-17-12-7-11(16)5-6-13(12)18-14/h1-7H,8,16H2
InChIKeyNZGNELCCZAMPBQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.55
Rot. Bonds2

About 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine

2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine (PubChem CID 168857392) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
PubChem CID168857392
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(CF)cc3)nc2c1
InChIInChI=1S/C14H11FN2O/c15-8-9-1-3-10(4-2-9)14-17-12-7-11(16)5-6-13(12)18-14/h1-7H,8,16H2
InChIKeyNZGNELCCZAMPBQ-UHFFFAOYSA-N
XLogP3.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.55
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

4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799
2-(4-nitrophenyl)-1,3-benzoxazol-5-amine
CID 14901574
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazol-5-amine
CID 25188057
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
2-[3-(aminomethyl)-4-bromophenyl]-1,3-benzoxazol-5-amine
CID 150669523
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
2-(3-bromo-4-ethoxyphenyl)-1,3-benzoxazol-5-amine
CID 91673892
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
3-(5-amino-1,3-benzoxazol-2-yl)phenol
CID 131880958

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine (CID 168857392) is 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3ccc(CF)cc3)nc2c1.
What is the InChIKey of 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine?
The InChIKey is NZGNELCCZAMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-8-9-1-3-10(4-2-9)14-17-12-7-11(16)5-6-13(12)18-14/h1-7H,8,16H2.
What are the key properties of 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine?
2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine has a molecular weight of 242.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 168857392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).