tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate

C22H32N6O3 — CID 67691402

IUPACtert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCN(C)CCc1c[nH]c2ccc(C(N)c3nc(CCNC(=O)OC(C)(C)C)no3)cc12
InChIInChI=1S/C22H32N6O3/c1-22(2,3)30-21(29)24-10-8-18-26-20(31-27-18)19(23)14-6-7-17-16(12-14)15(13-25-17)9-11-28(4)5/h6-7,12-13,19,25H,8-11,23H2,1-5H3,(H,24,29)
InChIKeyICAGOHUWLFBUCJ-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.77
Rot. Bonds8

About tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate (PubChem CID 67691402) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
PubChem CID67691402
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC Nametert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCN(C)CCc1c[nH]c2ccc(C(N)c3nc(CCNC(=O)OC(C)(C)C)no3)cc12
InChIInChI=1S/C22H32N6O3/c1-22(2,3)30-21(29)24-10-8-18-26-20(31-27-18)19(23)14-6-7-17-16(12-14)15(13-25-17)9-11-28(4)5/h6-7,12-13,19,25H,8-11,23H2,1-5H3,(H,24,29)
InChIKeyICAGOHUWLFBUCJ-UHFFFAOYSA-N
XLogP2.77
TPSA122.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 19022933
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
CID 57379273
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
CID 70053183
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
tert-butyl N-[2-(2-methyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-8-yl)ethyl]carbamate
CID 168946781
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 19023034
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate
CID 19970909

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate (CID 67691402) is tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate is CN(C)CCc1c[nH]c2ccc(C(N)c3nc(CCNC(=O)OC(C)(C)C)no3)cc12.
What is the InChIKey of tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The InChIKey is ICAGOHUWLFBUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3/c1-22(2,3)30-21(29)24-10-8-18-26-20(31-27-18)19(23)14-6-7-17-16(12-14)15(13-25-17)9-11-28(4)5/h6-7,12-13,19,25H,8-11,23H2,1-5H3,(H,24,29).
What are the key properties of tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate has a molecular weight of 428.54 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-[amino-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 67691402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).