N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C10H14F3N3O — CID 167784712

IUPACN-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CCC(NCc2cocn2)C1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-16-2-1-8(4-16)14-3-9-5-17-7-15-9/h5,7-8,14H,1-4,6H2
InChIKeyPJTHHTGSZWEKMI-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.40
Rot. Bonds4

About N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 167784712) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID167784712
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESFC(F)(F)CN1CCC(NCc2cocn2)C1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-16-2-1-8(4-16)14-3-9-5-17-7-15-9/h5,7-8,14H,1-4,6H2
InChIKeyPJTHHTGSZWEKMI-UHFFFAOYSA-N
XLogP1.40
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
1-(2-bromophenyl)-N-(1,3-oxazol-4-ylmethyl)pyrrolidin-3-amine
CID 119160309
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54884743
(3S)-N-[(2-methylquinolin-6-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 100642514
(3S)-N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 94871351
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103096714
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
1-(6-methyl-2-pyridinyl)-N-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 126772656
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
2-methyl-1-(pyridin-2-ylmethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110968547
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 167784712) is N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is FC(F)(F)CN1CCC(NCc2cocn2)C1.
What is the InChIKey of N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is PJTHHTGSZWEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)6-16-2-1-8(4-16)14-3-9-5-17-7-15-9/h5,7-8,14H,1-4,6H2.
What are the key properties of N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 249.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 167784712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).