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

C9H14F2N2O — CID 84777753

IUPAC1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(C)c(C(F)F)o1
InChIInChI=1S/C9H14F2N2O/c1-5(12-3)4-7-13-6(2)8(14-7)9(10)11/h5,9,12H,4H2,1-3H3
InChIKeyBWVGPVNSERICQR-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.07
Rot. Bonds4

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

1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine (PubChem CID 84777753) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
PubChem CID84777753
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1nc(C)c(C(F)F)o1
InChIInChI=1S/C9H14F2N2O/c1-5(12-3)4-7-13-6(2)8(14-7)9(10)11/h5,9,12H,4H2,1-3H3
InChIKeyBWVGPVNSERICQR-UHFFFAOYSA-N
XLogP2.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine (CID 84777753) is 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1nc(C)c(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is BWVGPVNSERICQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-5(12-3)4-7-13-6(2)8(14-7)9(10)11/h5,9,12H,4H2,1-3H3.
What are the key properties of 1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
1-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 204.22 g/mol, XLogP of 2.07, 4 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]-N-methylpropan-2-amine is sourced from PubChem (CID 84777753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).