3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine

C10H8F2N2O2 — CID 28603394

IUPAC3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-6(2-4-7)8-5-9(13)16-14-8/h1-5,10H,13H2
InChIKeyHQVFPPUOUJQDPU-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.53
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine

3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 28603394) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
PubChem CID28603394
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-6(2-4-7)8-5-9(13)16-14-8/h1-5,10H,13H2
InChIKeyHQVFPPUOUJQDPU-UHFFFAOYSA-N
XLogP2.53
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine (CID 28603394) is 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(OC(F)F)cc2)no1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is HQVFPPUOUJQDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-6(2-4-7)8-5-9(13)16-14-8/h1-5,10H,13H2.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine?
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 226.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 28603394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).