3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

C8H12F2N2O — CID 84771395

IUPAC3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-11-4-2-3-7-12-5-6(13-7)8(9)10/h5,8,11H,2-4H2,1H3
InChIKeyLPAZENFSALVEBD-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.76
Rot. Bonds5

About 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (PubChem CID 84771395) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
PubChem CID84771395
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(C(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-11-4-2-3-7-12-5-6(13-7)8(9)10/h5,8,11H,2-4H2,1H3
InChIKeyLPAZENFSALVEBD-UHFFFAOYSA-N
XLogP1.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (CID 84771395) is 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(C(F)F)o1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is LPAZENFSALVEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-11-4-2-3-7-12-5-6(13-7)8(9)10/h5,8,11H,2-4H2,1H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 190.19 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 84771395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).