[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine

C6H8F2N2O — CID 84764442

IUPAC[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1C(F)F
InChIInChI=1S/C6H8F2N2O/c1-3-5(6(7)8)11-4(2-9)10-3/h6H,2,9H2,1H3
InChIKeyLSDDFEXUGZXKCX-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.38
Rot. Bonds2

About [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine

[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine (PubChem CID 84764442) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
PubChem CID84764442
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1C(F)F
InChIInChI=1S/C6H8F2N2O/c1-3-5(6(7)8)11-4(2-9)10-3/h6H,2,9H2,1H3
InChIKeyLSDDFEXUGZXKCX-UHFFFAOYSA-N
XLogP1.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine (CID 84764442) is [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine is Cc1nc(CN)oc1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The InChIKey is LSDDFEXUGZXKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-3-5(6(7)8)11-4(2-9)10-3/h6H,2,9H2,1H3.
What are the key properties of [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine has a molecular weight of 162.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 84764442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).