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

C12H12F2N2O — CID 114249585

IUPAC5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2C(C)(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-7-4-3-5-8(6-7)9-10(12(2,13)14)17-16-11(9)15/h3-6H,1-2H3,(H2,15,16)
InChIKeyPOIFKGZJHNIWSN-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.34
Rot. Bonds2

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

5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 114249585) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID114249585
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2C(C)(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-7-4-3-5-8(6-7)9-10(12(2,13)14)17-16-11(9)15/h3-6H,1-2H3,(H2,15,16)
InChIKeyPOIFKGZJHNIWSN-UHFFFAOYSA-N
XLogP3.34
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 114249586
5-(2,2-dimethylpropyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199678
4-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66197888
5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198077
5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199484
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66197889
4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199355
4-(3-chlorophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198300
5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198480
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 103167445

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (CID 114249585) is 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2c(N)noc2C(C)(F)F)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is POIFKGZJHNIWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7-4-3-5-8(6-7)9-10(12(2,13)14)17-16-11(9)15/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 238.24 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 114249585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).