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

C9H6F2N2O — CID 66203429

IUPAC4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1nocc1-c1ccc(F)cc1F
InChIInChI=1S/C9H6F2N2O/c10-5-1-2-6(8(11)3-5)7-4-14-13-9(7)12/h1-4H,(H2,12,13)
InChIKeyNRQHTIHRRZGPDD-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.20
Rot. Bonds1

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

4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66203429) 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-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID66203429
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1nocc1-c1ccc(F)cc1F
InChIInChI=1S/C9H6F2N2O/c10-5-1-2-6(8(11)3-5)7-4-14-13-9(7)12/h1-4H,(H2,12,13)
InChIKeyNRQHTIHRRZGPDD-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (CID 66203429) is 4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is Nc1nocc1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is NRQHTIHRRZGPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-5-1-2-6(8(11)3-5)7-4-14-13-9(7)12/h1-4H,(H2,12,13).
What are the key properties of 4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
4-(2,4-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-(2,4-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66203429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).