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

C7H10F2N2O — CID 84767050

IUPAC2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(CCN)oc1C(F)F
InChIInChI=1S/C7H10F2N2O/c1-4-6(7(8)9)12-5(11-4)2-3-10/h7H,2-3,10H2,1H3
InChIKeyBVZUUGKTULEWKU-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.42
Rot. Bonds3

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

2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (PubChem CID 84767050) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
PubChem CID84767050
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(CCN)oc1C(F)F
InChIInChI=1S/C7H10F2N2O/c1-4-6(7(8)9)12-5(11-4)2-3-10/h7H,2-3,10H2,1H3
InChIKeyBVZUUGKTULEWKU-UHFFFAOYSA-N
XLogP1.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (CID 84767050) is 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is Cc1nc(CCN)oc1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The InChIKey is BVZUUGKTULEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-4-6(7(8)9)12-5(11-4)2-3-10/h7H,2-3,10H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine has a molecular weight of 176.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84767050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).