tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate

C17H29N3O3 — CID 104944062

IUPACtert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)c1cncn1C(C)C1CCOC1
InChIInChI=1S/C17H29N3O3/c1-6-14(19-16(21)23-17(3,4)5)15-9-18-11-20(15)12(2)13-7-8-22-10-13/h9,11-14H,6-8,10H2,1-5H3,(H,19,21)/t12?,13?,14-/m1/s1
InChIKeyURHYBPSREWLUAX-JXQTWKCFSA-N
MW323.44 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate

tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate (PubChem CID 104944062) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate
PubChem CID104944062
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)c1cncn1C(C)C1CCOC1
InChIInChI=1S/C17H29N3O3/c1-6-14(19-16(21)23-17(3,4)5)15-9-18-11-20(15)12(2)13-7-8-22-10-13/h9,11-14H,6-8,10H2,1-5H3,(H,19,21)/t12?,13?,14-/m1/s1
InChIKeyURHYBPSREWLUAX-JXQTWKCFSA-N
XLogP3.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[(1R)-1-[3-(1-methylsulfinylpropan-2-yl)imidazol-4-yl]propyl]carbamate
CID 104943718
(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104944059
tert-butyl N-[(1R)-1-[3-(1-methylsulfanylbutan-2-yl)imidazol-4-yl]propyl]carbamate
CID 104944073
tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
CID 114704068
tert-butyl N-[(1R)-1-(3-but-3-ynylimidazol-4-yl)propyl]carbamate
CID 114986305
tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate
CID 114707891
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986351
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[(1R)-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]propyl]carbamate
CID 104943854
tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
CID 114705783
tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
CID 114986138

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate (CID 104944062) is tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate is CC[C@@H](NC(=O)OC(C)(C)C)c1cncn1C(C)C1CCOC1.
What is the InChIKey of tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate?
The InChIKey is URHYBPSREWLUAX-JXQTWKCFSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-6-14(19-16(21)23-17(3,4)5)15-9-18-11-20(15)12(2)13-7-8-22-10-13/h9,11-14H,6-8,10H2,1-5H3,(H,19,21)/t12?,13?,14-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate?
tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate has a molecular weight of 323.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate is sourced from PubChem (CID 104944062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).