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

C12H21F3N4O — CID 106969917

IUPAC5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nnc(CNCC(C)C)o1
InChIInChI=1S/C12H21F3N4O/c1-4-5-19(8-12(13,14)15)11-18-17-10(20-11)7-16-6-9(2)3/h9,16H,4-8H2,1-3H3
InChIKeyXUFGUELNAXHEFF-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.59
Rot. Bonds8

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

5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969917) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969917
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC Name5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nnc(CNCC(C)C)o1
InChIInChI=1S/C12H21F3N4O/c1-4-5-19(8-12(13,14)15)11-18-17-10(20-11)7-16-6-9(2)3/h9,16H,4-8H2,1-3H3
InChIKeyXUFGUELNAXHEFF-UHFFFAOYSA-N
XLogP2.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969915
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106970272
N,N-dimethyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106960123
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961914
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969942
2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495569
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106969906
1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428626
N-(3,5-dimethylphenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971305
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine (CID 106969917) is 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is CCCN(CC(F)(F)F)c1nnc(CNCC(C)C)o1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XUFGUELNAXHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c1-4-5-19(8-12(13,14)15)11-18-17-10(20-11)7-16-6-9(2)3/h9,16H,4-8H2,1-3H3.
What are the key properties of 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine?
5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 294.32 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).