4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

C12H12F2N2O4S — CID 66200738

IUPAC4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCS(=O)(=O)Cc1onc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H12F2N2O4S/c1-21(17,18)6-9-10(11(15)16-20-9)7-2-4-8(5-3-7)19-12(13)14/h2-5,12H,6H2,1H3,(H2,15,16)
InChIKeyPFOZEKJLKXIVIL-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.07
Rot. Bonds5

About 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (PubChem CID 66200738) has the molecular formula C12H12F2N2O4S and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
PubChem CID66200738
Molecular FormulaC12H12F2N2O4S
Molecular Weight318.30 g/mol
Exact Mass318.05
IUPAC Name4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCS(=O)(=O)Cc1onc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H12F2N2O4S/c1-21(17,18)6-9-10(11(15)16-20-9)7-2-4-8(5-3-7)19-12(13)14/h2-5,12H,6H2,1H3,(H2,15,16)
InChIKeyPFOZEKJLKXIVIL-UHFFFAOYSA-N
XLogP2.07
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200647
4-[4-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazol-5-amine
CID 43158134
4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66199398
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
CID 66202645
4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522867
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198932
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 103558587
3-[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102222
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
(1R)-1-[3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 97057783

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (CID 66200738) is 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is CS(=O)(=O)Cc1onc(N)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The InChIKey is PFOZEKJLKXIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O4S/c1-21(17,18)6-9-10(11(15)16-20-9)7-2-4-8(5-3-7)19-12(13)14/h2-5,12H,6H2,1H3,(H2,15,16).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine has a molecular weight of 318.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).