4-(3,5-difluorophenyl)-1,2-oxazol-3-amine

C9H6F2N2O — CID 66201491

IUPAC4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1nocc1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N2O/c10-6-1-5(2-7(11)3-6)8-4-14-13-9(8)12/h1-4H,(H2,12,13)
InChIKeyVSWRNUFGKCJDFM-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.20
Rot. Bonds1

About 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine

4-(3,5-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66201491) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID66201491
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1nocc1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N2O/c10-6-1-5(2-7(11)3-6)8-4-14-13-9(8)12/h1-4H,(H2,12,13)
InChIKeyVSWRNUFGKCJDFM-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-(3,5-difluorophenyl)pyridine-2,3-diamine
CID 70922932
4-isoquinolin-6-yl-1,2-oxazol-3-amine
CID 67524608
3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62470899
5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-amine
CID 63692420
5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199755
5-amino-2-(3,5-difluorophenyl)phenol
CID 12067767
2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine
CID 96591103
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
5-(5-bromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 66202073
4-(3,5-difluorophenyl)-5-pyridin-2-yl-1,2-oxazol-3-amine
CID 66201880
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine (CID 66201491) is 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine is Nc1nocc1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is VSWRNUFGKCJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-6-1-5(2-7(11)3-6)8-4-14-13-9(8)12/h1-4H,(H2,12,13).
What are the key properties of 4-(3,5-difluorophenyl)-1,2-oxazol-3-amine?
4-(3,5-difluorophenyl)-1,2-oxazol-3-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-(3,5-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).