4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine

C14H16F2N2O — CID 55103205

IUPAC4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
SMILESCCC(C)(C)c1noc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O/c1-4-14(2,3)12-11(13(17)19-18-12)8-5-9(15)7-10(16)6-8/h5-7H,4,17H2,1-3H3
InChIKeyIFVCENFAHHQOEE-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.89
Rot. Bonds3

About 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine

4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine (PubChem CID 55103205) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
PubChem CID55103205
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
SMILESCCC(C)(C)c1noc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2N2O/c1-4-14(2,3)12-11(13(17)19-18-12)8-5-9(15)7-10(16)6-8/h5-7H,4,17H2,1-3H3
InChIKeyIFVCENFAHHQOEE-UHFFFAOYSA-N
XLogP3.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine (CID 55103205) is 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine is CCC(C)(C)c1noc(N)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
The InChIKey is IFVCENFAHHQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-4-14(2,3)12-11(13(17)19-18-12)8-5-9(15)7-10(16)6-8/h5-7H,4,17H2,1-3H3.
What are the key properties of 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine?
4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 55103205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).