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

C14H14ClFN2O — CID 83153855

IUPAC4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine
SMILESCC(c1noc(N)c1-c1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C14H14ClFN2O/c1-7(8-5-6-8)13-11(14(17)19-18-13)9-3-2-4-10(15)12(9)16/h2-4,7-8H,5-6,17H2,1H3
InChIKeyJZNPMAQFULPWAC-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.23
Rot. Bonds3

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

4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine (PubChem CID 83153855) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine
PubChem CID83153855
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine
SMILESCC(c1noc(N)c1-c1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C14H14ClFN2O/c1-7(8-5-6-8)13-11(14(17)19-18-13)9-3-2-4-10(15)12(9)16/h2-4,7-8H,5-6,17H2,1H3
InChIKeyJZNPMAQFULPWAC-UHFFFAOYSA-N
XLogP4.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
CID 82802899
4-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylcyclopropyl)-1,2-oxazol-3-amine
CID 107003659
4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 114821385
4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
CID 82788090
4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522917
3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 81265627
4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 43335678
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine (CID 83153855) is 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine is CC(c1noc(N)c1-c1cccc(Cl)c1F)C1CC1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine?
The InChIKey is JZNPMAQFULPWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-7(8-5-6-8)13-11(14(17)19-18-13)9-3-2-4-10(15)12(9)16/h2-4,7-8H,5-6,17H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine?
4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine has a molecular weight of 280.73 g/mol, XLogP of 4.23, 3 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)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 83153855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).