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

C12H12F2N2O2 — CID 117388329

IUPAC5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)cc1C(C)(F)F
InChIInChI=1S/C12H12F2N2O2/c1-12(13,14)8-5-7(3-4-9(8)17-2)10-6-11(15)16-18-10/h3-6H,1-2H3,(H2,15,16)
InChIKeyPQYRAUJHBYJINB-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.04
Rot. Bonds3

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

5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine (PubChem CID 117388329) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine
PubChem CID117388329
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)cc1C(C)(F)F
InChIInChI=1S/C12H12F2N2O2/c1-12(13,14)8-5-7(3-4-9(8)17-2)10-6-11(15)16-18-10/h3-6H,1-2H3,(H2,15,16)
InChIKeyPQYRAUJHBYJINB-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

5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol
CID 136932498
5-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388330
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
5-(4-tert-butylisoquinolin-7-yl)-1,2-oxazol-3-amine
CID 117421809
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine (CID 117388329) is 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine is COc1ccc(-c2cc(N)no2)cc1C(C)(F)F.
What is the InChIKey of 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine?
The InChIKey is PQYRAUJHBYJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-12(13,14)8-5-7(3-4-9(8)17-2)10-6-11(15)16-18-10/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine?
5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-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 5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117388329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).