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

C9H14F2N2O — CID 170133718

IUPAC2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(C(F)F)c(C)o1
InChIInChI=1S/C9H14F2N2O/c1-5-6(7(10)11)13-8(14-5)9(2,3)12-4/h7,12H,1-4H3
InChIKeyFCLZZMZAGNFNFM-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.38
Rot. Bonds3

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

2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine (PubChem CID 170133718) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
PubChem CID170133718
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(C(F)F)c(C)o1
InChIInChI=1S/C9H14F2N2O/c1-5-6(7(10)11)13-8(14-5)9(2,3)12-4/h7,12H,1-4H3
InChIKeyFCLZZMZAGNFNFM-UHFFFAOYSA-N
XLogP2.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine (CID 170133718) is 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nc(C(F)F)c(C)o1.
What is the InChIKey of 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is FCLZZMZAGNFNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-5-6(7(10)11)13-8(14-5)9(2,3)12-4/h7,12H,1-4H3.
What are the key properties of 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine?
2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 204.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 170133718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).