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

C12H12ClFN2O — CID 82808316

IUPAC4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1onc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C12H12ClFN2O/c1-6(2)11-9(12(15)16-17-11)7-4-3-5-8(13)10(7)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyKEZLWOIQEBEHSK-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.84
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 82808316) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
PubChem CID82808316
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1onc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C12H12ClFN2O/c1-6(2)11-9(12(15)16-17-11)7-4-3-5-8(13)10(7)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyKEZLWOIQEBEHSK-UHFFFAOYSA-N
XLogP3.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522917
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
4-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylcyclopropyl)-1,2-oxazol-3-amine
CID 107003659
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 82792888
4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 82808433
4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine
CID 83153855
5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742869
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791
4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
CID 114875056

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine (CID 82808316) is 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine is CC(C)c1onc(N)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is KEZLWOIQEBEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-6(2)11-9(12(15)16-17-11)7-4-3-5-8(13)10(7)14/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 254.69 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 82808316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).