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

C6H9FN2O — CID 84762816

IUPAC[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1CF
InChIInChI=1S/C6H9FN2O/c1-4-5(2-7)10-6(3-8)9-4/h2-3,8H2,1H3
InChIKeySFTOPUSAYPCRII-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.91
Rot. Bonds2

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

[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine (PubChem CID 84762816) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
PubChem CID84762816
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1CF
InChIInChI=1S/C6H9FN2O/c1-4-5(2-7)10-6(3-8)9-4/h2-3,8H2,1H3
InChIKeySFTOPUSAYPCRII-UHFFFAOYSA-N
XLogP0.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine (CID 84762816) is [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine is Cc1nc(CN)oc1CF.
What is the InChIKey of [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The InChIKey is SFTOPUSAYPCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-4-5(2-7)10-6(3-8)9-4/h2-3,8H2,1H3.
What are the key properties of [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine?
[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine has a molecular weight of 144.15 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 84762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).