4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine

C12H12F2N2O2 — CID 117388349

IUPAC4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cnoc2N)c1C(C)(F)F
InChIInChI=1S/C12H12F2N2O2/c1-12(13,14)10-7(4-3-5-9(10)17-2)8-6-16-18-11(8)15/h3-6H,15H2,1-2H3
InChIKeyWEKUFPGONDGNSW-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.04
Rot. Bonds3

About 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine

4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117388349) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117388349
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cnoc2N)c1C(C)(F)F
InChIInChI=1S/C12H12F2N2O2/c1-12(13,14)10-7(4-3-5-9(10)17-2)8-6-16-18-11(8)15/h3-6H,15H2,1-2H3
InChIKeyWEKUFPGONDGNSW-UHFFFAOYSA-N
XLogP3.04
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-[3-methoxy-2-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491636

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine (CID 117388349) is 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine is COc1cccc(-c2cnoc2N)c1C(C)(F)F.
What is the InChIKey of 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is WEKUFPGONDGNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-12(13,14)10-7(4-3-5-9(10)17-2)8-6-16-18-11(8)15/h3-6H,15H2,1-2H3.
What are the key properties of 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine?
4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 254.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117388349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).