4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine

C14H16ClFN2O — CID 43335678

IUPAC4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
SMILESCCC(CC)c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c1-3-8(4-2)13-12(14(17)19-18-13)11-9(15)6-5-7-10(11)16/h5-8H,3-4,17H2,1-2H3
InChIKeyPCTAZFHAKAQLMT-UHFFFAOYSA-N
MW282.75 g/mol
LogP4.62
Rot. Bonds4

About 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine

4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine (PubChem CID 43335678) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
PubChem CID43335678
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
SMILESCCC(CC)c1noc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c1-3-8(4-2)13-12(14(17)19-18-13)11-9(15)6-5-7-10(11)16/h5-8H,3-4,17H2,1-2H3
InChIKeyPCTAZFHAKAQLMT-UHFFFAOYSA-N
XLogP4.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
4-(2-chloro-6-fluorophenyl)-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827667
4-(3-methoxyphenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 61262192
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645373
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824
3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335681
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999
4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
CID 82989478
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine (CID 43335678) is 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine is CCC(CC)c1noc(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine?
The InChIKey is PCTAZFHAKAQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-3-8(4-2)13-12(14(17)19-18-13)11-9(15)6-5-7-10(11)16/h5-8H,3-4,17H2,1-2H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine?
4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine has a molecular weight of 282.75 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 43335678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).