(2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C15H23F3N4O2 — CID 95628074

IUPAC(2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C15H23F3N4O2/c1-11(14(23)20-8-12-4-3-7-24-12)21(2)9-13-19-5-6-22(13)10-15(16,17)18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,23)/t11-,12-/m0/s1
InChIKeyCZFBDYKIZVFWQN-RYUDHWBXSA-N
MW348.37 g/mol
LogP1.56
Rot. Bonds7

About (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 95628074) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID95628074
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name(2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C15H23F3N4O2/c1-11(14(23)20-8-12-4-3-7-24-12)21(2)9-13-19-5-6-22(13)10-15(16,17)18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,23)/t11-,12-/m0/s1
InChIKeyCZFBDYKIZVFWQN-RYUDHWBXSA-N
XLogP1.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-{2-[(2s)-pyrrolidine-2-carbonyloxy]-ethyl}-1h-imidazol-3-ium trifluoroacetate
CID 25198598
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 45501909
2,2-difluoro-N-(2-{4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
CID 56739423
N-propyl-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 56749755
2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 56790927
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 97345872
[4-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124051023
1-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-2-carboxamide
CID 132390450
1-(1-cyclohexyl-2,2,2-trifluoroethyl)-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 164629522
N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 164632192
3-(2,2-difluoroethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]propanamide
CID 164635533
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 43111975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 95628074) is (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1nccn1CC(F)(F)F.
What is the InChIKey of (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is CZFBDYKIZVFWQN-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-11(14(23)20-8-12-4-3-7-24-12)21(2)9-13-19-5-6-22(13)10-15(16,17)18/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 348.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95628074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).