4-(2,4-difluorophenyl)-1,2-oxazol-5-amine

C9H6F2N2O — CID 64559518

IUPAC4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(F)cc1F
InChIInChI=1S/C9H6F2N2O/c10-5-1-2-6(8(11)3-5)7-4-13-14-9(7)12/h1-4H,12H2
InChIKeyWORRWKOPYJGAKW-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.20
Rot. Bonds1

About 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine

4-(2,4-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 64559518) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID64559518
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(F)cc1F
InChIInChI=1S/C9H6F2N2O/c10-5-1-2-6(8(11)3-5)7-4-13-14-9(7)12/h1-4H,12H2
InChIKeyWORRWKOPYJGAKW-UHFFFAOYSA-N
XLogP2.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chlorophenyl)-5-isoxazolamine
CID 46702
4-Phenyl-1,2-oxazol-5-amine
CID 2748785
4-(4-Fluorophenyl)Isoxazol-5-Amine
CID 22424949
4-(3-Chlorophenyl)-1,2-oxazol-5-amine
CID 45790362
N-methyl-4-phenyl-1,2-oxazol-5-amine
CID 118895094
4-Phenylisoxazole
CID 2750134
5-Amino-4-(4-bromophenyl)isoxazole
CID 26597017
4-(2-Fluorophenyl)-1,2-oxazol-5-amine
CID 61553161
4-Phenyl-1,2-oxazole-5-carboxamide
CID 145957647
4-(4-Fluorophenyl)isoxazole
CID 130038548
4-(4-Fluorophenyl)-5-methyl-1,2-oxazole
CID 130439192
5-Methyl-4-phenylisoxazole
CID 594379

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine (CID 64559518) is 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is WORRWKOPYJGAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-5-1-2-6(8(11)3-5)7-4-13-14-9(7)12/h1-4H,12H2.
What are the key properties of 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine?
4-(2,4-difluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 196.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 64559518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).