N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine

C15H17F3N4O — CID 128977696

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H17F3N4O/c1-2-22-7-6-20-14(22)13-11(4-8-23-13)21-12-9-10(3-5-19-12)15(16,17)18/h3,5-7,9,11,13H,2,4,8H2,1H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyNNWORRSQQRFBLL-AAEUAGOBSA-N
MW326.32 g/mol
LogP3.26
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 128977696) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID128977696
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H17F3N4O/c1-2-22-7-6-20-14(22)13-11(4-8-23-13)21-12-9-10(3-5-19-12)15(16,17)18/h3,5-7,9,11,13H,2,4,8H2,1H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyNNWORRSQQRFBLL-AAEUAGOBSA-N
XLogP3.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 128977696) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine is CCn1ccnc1[C@H]1OCC[C@@H]1Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NNWORRSQQRFBLL-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-2-22-7-6-20-14(22)13-11(4-8-23-13)21-12-9-10(3-5-19-12)15(16,17)18/h3,5-7,9,11,13H,2,4,8H2,1H3,(H,19,21)/t11-,13-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 326.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 128977696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).