N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C9H14F3N3O — CID 75433500

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCc1nnc(CN(CC(F)(F)F)C(C)C)o1
InChIInChI=1S/C9H14F3N3O/c1-6(2)15(5-9(10,11)12)4-8-14-13-7(3)16-8/h6H,4-5H2,1-3H3
InChIKeyHPPPUQZWGCLNKG-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.15
Rot. Bonds4

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 75433500) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID75433500
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCc1nnc(CN(CC(F)(F)F)C(C)C)o1
InChIInChI=1S/C9H14F3N3O/c1-6(2)15(5-9(10,11)12)4-8-14-13-7(3)16-8/h6H,4-5H2,1-3H3
InChIKeyHPPPUQZWGCLNKG-UHFFFAOYSA-N
XLogP2.15
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 75433500) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is Cc1nnc(CN(CC(F)(F)F)C(C)C)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is HPPPUQZWGCLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6(2)15(5-9(10,11)12)4-8-14-13-7(3)16-8/h6H,4-5H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 75433500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).