tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate

C23H24N6O3 — CID 10788857

IUPACtert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnnn1CCC#N
InChIInChI=1S/C23H24N6O3/c1-23(2,3)32-22(30)25-18(21-26-27-28-29(21)12-6-11-24)13-15-9-10-17-16-7-4-5-8-19(16)31-20(17)14-15/h4-5,7-10,14,18H,6,12-13H2,1-3H3,(H,25,30)/t18-/m0/s1
InChIKeyVNKUBNDGZQSHCJ-SFHVURJKSA-N
MW432.48 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate

tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate (PubChem CID 10788857) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate
PubChem CID10788857
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Nametert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnnn1CCC#N
InChIInChI=1S/C23H24N6O3/c1-23(2,3)32-22(30)25-18(21-26-27-28-29(21)12-6-11-24)13-15-9-10-17-16-7-4-5-8-19(16)31-20(17)14-15/h4-5,7-10,14,18H,6,12-13H2,1-3H3,(H,25,30)/t18-/m0/s1
InChIKeyVNKUBNDGZQSHCJ-SFHVURJKSA-N
XLogP4.29
TPSA118.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate
CID 54448135
3-dibenzofuran-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70243594
tert-butyl N-[1-[1-(2-cyanoethyl)tetrazol-5-yl]-4-(4-methylphenyl)but-3-ynyl]carbamate
CID 10762326
methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate
CID 23404388
tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
CID 122163510
tert-butyl N-[(1S)-2-(4-cyanophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamate
CID 135255289
5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylic acid
CID 91758148
1,5-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]imidazole-4-carboxylic acid
CID 101190216
2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 666348
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
CID 123235761
tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
CID 102141553
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
CID 16663835

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate (CID 10788857) is tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnnn1CCC#N.
What is the InChIKey of tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate?
The InChIKey is VNKUBNDGZQSHCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-23(2,3)32-22(30)25-18(21-26-27-28-29(21)12-6-11-24)13-15-9-10-17-16-7-4-5-8-19(16)31-20(17)14-15/h4-5,7-10,14,18H,6,12-13H2,1-3H3,(H,25,30)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate?
tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate has a molecular weight of 432.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate is sourced from PubChem (CID 10788857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).