tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate

C17H30N4O3 — CID 86806594

IUPACtert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate
SMILESCCC(c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1)N(C)C
InChIInChI=1S/C17H30N4O3/c1-7-12(21(5)6)13-18-14(20-24-13)17(10-8-9-11-17)19-15(22)23-16(2,3)4/h12H,7-11H2,1-6H3,(H,19,22)
InChIKeyBJQVLZIIXVSDBM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.38
Rot. Bonds5

About tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate

tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate (PubChem CID 86806594) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate
PubChem CID86806594
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate
SMILESCCC(c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1)N(C)C
InChIInChI=1S/C17H30N4O3/c1-7-12(21(5)6)13-18-14(20-24-13)17(10-8-9-11-17)19-15(22)23-16(2,3)4/h12H,7-11H2,1-6H3,(H,19,22)
InChIKeyBJQVLZIIXVSDBM-UHFFFAOYSA-N
XLogP3.38
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate (CID 86806594) is tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate is CCC(c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1)N(C)C.
What is the InChIKey of tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate?
The InChIKey is BJQVLZIIXVSDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-7-12(21(5)6)13-18-14(20-24-13)17(10-8-9-11-17)19-15(22)23-16(2,3)4/h12H,7-11H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate?
tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[1-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]carbamate is sourced from PubChem (CID 86806594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).