N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H19F3N2O2 — CID 86830542

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1noc(C)c1CN(C)CCCOCC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-9-11(10(2)19-16-9)7-17(3)5-4-6-18-8-12(13,14)15/h4-8H2,1-3H3
InChIKeyFDZUDGXBURYHEZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.69
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 86830542) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID86830542
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1noc(C)c1CN(C)CCCOCC(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-9-11(10(2)19-16-9)7-17(3)5-4-6-18-8-12(13,14)15/h4-8H2,1-3H3
InChIKeyFDZUDGXBURYHEZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propoxy]benzonitrile
CID 60500512
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294
N-methyl-N-[(2-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 86829390
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491298
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243431
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide
CID 49377141
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
CID 83821117
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81088478

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 86830542) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1noc(C)c1CN(C)CCCOCC(F)(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is FDZUDGXBURYHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-9-11(10(2)19-16-9)7-17(3)5-4-6-18-8-12(13,14)15/h4-8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 280.29 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 86830542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).