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

C11H17F3N2O — CID 113327418

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCc1nc(CNCCCCC(F)(F)F)oc1C
InChIInChI=1S/C11H17F3N2O/c1-8-9(2)17-10(16-8)7-15-6-4-3-5-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyYOJZOGUGSXTYHA-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.11
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 113327418) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID113327418
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCc1nc(CNCCCCC(F)(F)F)oc1C
InChIInChI=1S/C11H17F3N2O/c1-8-9(2)17-10(16-8)7-15-6-4-3-5-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyYOJZOGUGSXTYHA-UHFFFAOYSA-N
XLogP3.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115518471
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63964251
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide
CID 106336432
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673082
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
5,5,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115491280

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine (CID 113327418) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine is Cc1nc(CNCCCCC(F)(F)F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is YOJZOGUGSXTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8-9(2)17-10(16-8)7-15-6-4-3-5-11(12,13)14/h15H,3-7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 250.26 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113327418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).