4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine

C10H8F2N2O2 — CID 117324756

IUPAC4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(F)cc(-c2cnoc2N)cc1F
InChIInChI=1S/C10H8F2N2O2/c1-15-9-7(11)2-5(3-8(9)12)6-4-14-16-10(6)13/h2-4H,13H2,1H3
InChIKeyQTNWBAZDTGYXFZ-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.21
Rot. Bonds2

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

4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117324756) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117324756
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(F)cc(-c2cnoc2N)cc1F
InChIInChI=1S/C10H8F2N2O2/c1-15-9-7(11)2-5(3-8(9)12)6-4-14-16-10(6)13/h2-4H,13H2,1H3
InChIKeyQTNWBAZDTGYXFZ-UHFFFAOYSA-N
XLogP2.21
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
4-(5-bromo-2,3-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490147
4-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117364560
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117330207
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314027
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
CID 117321279

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine (CID 117324756) is 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine is COc1c(F)cc(-c2cnoc2N)cc1F.
What is the InChIKey of 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is QTNWBAZDTGYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-15-9-7(11)2-5(3-8(9)12)6-4-14-16-10(6)13/h2-4H,13H2,1H3.
What are the key properties of 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 226.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117324756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).