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

C12H12F2N2O2 — CID 114249586

IUPAC5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2C(C)(F)F)c1
InChIInChI=1S/C12H12F2N2O2/c1-12(13,14)10-9(11(15)16-18-10)7-4-3-5-8(6-7)17-2/h3-6H,1-2H3,(H2,15,16)
InChIKeyXWNTYFKIGUBLMW-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.04
Rot. Bonds3

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

5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 114249586) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID114249586
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2C(C)(F)F)c1
InChIInChI=1S/C12H12F2N2O2/c1-12(13,14)10-9(11(15)16-18-10)7-4-3-5-8(6-7)17-2/h3-6H,1-2H3,(H2,15,16)
InChIKeyXWNTYFKIGUBLMW-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-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 114249585
4-(3-methoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62678255
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 107967198
4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200693
5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200884
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 142088621
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198300
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine (CID 114249586) is 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine is COc1cccc(-c2c(N)noc2C(C)(F)F)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is XWNTYFKIGUBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-12(13,14)10-9(11(15)16-18-10)7-4-3-5-8(6-7)17-2/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
5-(1,1-difluoroethyl)-4-(3-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-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 114249586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).