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

C21H29N5O3 — CID 19022933

IUPACtert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCN(C)CCc1c[nH]c2ccc(-c3nc(CCNC(=O)OC(C)(C)C)no3)cc12
InChIInChI=1S/C21H29N5O3/c1-21(2,3)28-20(27)22-10-8-18-24-19(29-25-18)14-6-7-17-16(12-14)15(13-23-17)9-11-26(4)5/h6-7,12-13,23H,8-11H2,1-5H3,(H,22,27)
InChIKeySDWLBWRJNPPPRI-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.39
Rot. Bonds7

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

tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate (PubChem CID 19022933) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
PubChem CID19022933
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Nametert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCN(C)CCc1c[nH]c2ccc(-c3nc(CCNC(=O)OC(C)(C)C)no3)cc12
InChIInChI=1S/C21H29N5O3/c1-21(2,3)28-20(27)22-10-8-18-24-19(29-25-18)14-6-7-17-16(12-14)15(13-23-17)9-11-26(4)5/h6-7,12-13,23H,8-11H2,1-5H3,(H,22,27)
InChIKeySDWLBWRJNPPPRI-UHFFFAOYSA-N
XLogP3.39
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 19023034
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
CID 70053183
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
CID 57379273
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide
CID 139755550
4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 19023002

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate (CID 19022933) is tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate is CN(C)CCc1c[nH]c2ccc(-c3nc(CCNC(=O)OC(C)(C)C)no3)cc12.
What is the InChIKey of tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The InChIKey is SDWLBWRJNPPPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-21(2,3)28-20(27)22-10-8-18-24-19(29-25-18)14-6-7-17-16(12-14)15(13-23-17)9-11-26(4)5/h6-7,12-13,23H,8-11H2,1-5H3,(H,22,27).
What are the key properties of tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate has a molecular weight of 399.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 19022933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).