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

C7H10F2N2O — CID 84767053

IUPAC1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(C(C)N)oc1C(F)F
InChIInChI=1S/C7H10F2N2O/c1-3(10)7-11-4(2)5(12-7)6(8)9/h3,6H,10H2,1-2H3
InChIKeyIPRKXAUGXAINLW-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.94
Rot. Bonds2

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

1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (PubChem CID 84767053) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
PubChem CID84767053
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(C(C)N)oc1C(F)F
InChIInChI=1S/C7H10F2N2O/c1-3(10)7-11-4(2)5(12-7)6(8)9/h3,6H,10H2,1-2H3
InChIKeyIPRKXAUGXAINLW-UHFFFAOYSA-N
XLogP1.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine (CID 84767053) is 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is Cc1nc(C(C)N)oc1C(F)F.
What is the InChIKey of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
The InChIKey is IPRKXAUGXAINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-3(10)7-11-4(2)5(12-7)6(8)9/h3,6H,10H2,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine?
1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine has a molecular weight of 176.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 84767053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).