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

C13H12ClFN2O — CID 66199892

IUPAC4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine
SMILESCC1CC1c1onc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-6-4-9(6)12-11(13(16)17-18-12)8-3-2-7(15)5-10(8)14/h2-3,5-6,9H,4H2,1H3,(H2,16,17)
InChIKeyAUBLDECMMVQEQG-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.84
Rot. Bonds2

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

4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine (PubChem CID 66199892) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine
PubChem CID66199892
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine
SMILESCC1CC1c1onc(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-6-4-9(6)12-11(13(16)17-18-12)8-3-2-7(15)5-10(8)14/h2-3,5-6,9H,4H2,1H3,(H2,16,17)
InChIKeyAUBLDECMMVQEQG-UHFFFAOYSA-N
XLogP3.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 66199685
5-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66201888
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690672
4-chloro-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine
CID 79555774
5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199951
4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine
CID 107967195
4-(2,4-dichlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185949
4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107186064
4-(2-chloro-4-fluorophenyl)-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 63036359
4-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylcyclopropyl)-1,2-oxazol-3-amine
CID 107003659
4-(2-chloro-4-fluorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 63525734

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine (CID 66199892) is 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine is CC1CC1c1onc(N)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine?
The InChIKey is AUBLDECMMVQEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-6-4-9(6)12-11(13(16)17-18-12)8-3-2-7(15)5-10(8)14/h2-3,5-6,9H,4H2,1H3,(H2,16,17).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine?
4-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine has a molecular weight of 266.70 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-(2-chloro-4-fluorophenyl)-5-(2-methylcyclopropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).