tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate

C14H20F3N3O3 — CID 102970433

IUPACtert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ncc(C(F)(F)F)[nH]1)C1CCOC1
InChIInChI=1S/C14H20F3N3O3/c1-13(2,3)23-12(21)20-10(8-4-5-22-7-8)11-18-6-9(19-11)14(15,16)17/h6,8,10H,4-5,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyYMFRPFAGLOGGRZ-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.03
Rot. Bonds3

About tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate

tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate (PubChem CID 102970433) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate
PubChem CID102970433
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Nametert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ncc(C(F)(F)F)[nH]1)C1CCOC1
InChIInChI=1S/C14H20F3N3O3/c1-13(2,3)23-12(21)20-10(8-4-5-22-7-8)11-18-6-9(19-11)14(15,16)17/h6,8,10H,4-5,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyYMFRPFAGLOGGRZ-UHFFFAOYSA-N
XLogP3.03
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl 4-(4-(trifluoromethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67112037
tert-butyl (2S)-4-fluoro-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 68066919
[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentyl]carbamic acid
CID 68895551
Tert-butyl (s)-2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 70648864
tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71280414
(S)-tert-butyl 1-(5-(trifluoromethyl)-1H-imidazol-2-yl)ethylcarbamate
CID 71280415
tert-butyl N-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71283820
tert-butyl N-[1-[5-(difluoromethyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 123390584
tert-butyl N-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentyl]carbamate
CID 143768355
tert-butyl 4-[5-(difluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 170695455
2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 170722463
[(4S)-2-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]pentan-2-yl] carbamate
CID 175285931

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate (CID 102970433) is tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC(c1ncc(C(F)(F)F)[nH]1)C1CCOC1.
What is the InChIKey of tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate?
The InChIKey is YMFRPFAGLOGGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-13(2,3)23-12(21)20-10(8-4-5-22-7-8)11-18-6-9(19-11)14(15,16)17/h6,8,10H,4-5,7H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate?
tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate has a molecular weight of 335.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 102970433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).