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

C7H8ClFN2O — CID 131223589

IUPAC4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine
SMILESCC1(c2onc(N)c2Cl)CC1F
InChIInChI=1S/C7H8ClFN2O/c1-7(2-3(7)9)5-4(8)6(10)11-12-5/h3H,2H2,1H3,(H2,10,11)
InChIKeyNLAWWHGASNWASC-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.91
Rot. Bonds1

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

4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine (PubChem CID 131223589) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine
PubChem CID131223589
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine
SMILESCC1(c2onc(N)c2Cl)CC1F
InChIInChI=1S/C7H8ClFN2O/c1-7(2-3(7)9)5-4(8)6(10)11-12-5/h3H,2H2,1H3,(H2,10,11)
InChIKeyNLAWWHGASNWASC-UHFFFAOYSA-N
XLogP1.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine (CID 131223589) is 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine is CC1(c2onc(N)c2Cl)CC1F.
What is the InChIKey of 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine?
The InChIKey is NLAWWHGASNWASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-7(2-3(7)9)5-4(8)6(10)11-12-5/h3H,2H2,1H3,(H2,10,11).
What are the key properties of 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine?
4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine has a molecular weight of 190.60 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 131223589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).