3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine

C9H14F2N2O — CID 84777756

IUPAC3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nc(C)c(C(F)F)o1
InChIInChI=1S/C9H14F2N2O/c1-6-8(9(10)11)14-7(13-6)4-3-5-12-2/h9,12H,3-5H2,1-2H3
InChIKeyBBXKGEVLABUBFN-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.07
Rot. Bonds5

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

3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine (PubChem CID 84777756) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine
PubChem CID84777756
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nc(C)c(C(F)F)o1
InChIInChI=1S/C9H14F2N2O/c1-6-8(9(10)11)14-7(13-6)4-3-5-12-2/h9,12H,3-5H2,1-2H3
InChIKeyBBXKGEVLABUBFN-UHFFFAOYSA-N
XLogP2.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.07
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)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine (CID 84777756) is 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine is CNCCCc1nc(C)c(C(F)F)o1.
What is the InChIKey of 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is BBXKGEVLABUBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6-8(9(10)11)14-7(13-6)4-3-5-12-2/h9,12H,3-5H2,1-2H3.
What are the key properties of 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 204.22 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 84777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).