2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol

C14H26N4O2 — CID 106971108

IUPAC2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
SMILESCC(C)(C)NCc1nnc(N(CCO)C2CCCC2)o1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)15-10-12-16-17-13(20-12)18(8-9-19)11-6-4-5-7-11/h11,15,19H,4-10H2,1-3H3
InChIKeyZSIBIWLCRUPBTR-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.70
Rot. Bonds6

About 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol

2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol (PubChem CID 106971108) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
PubChem CID106971108
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
SMILESCC(C)(C)NCc1nnc(N(CCO)C2CCCC2)o1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)15-10-12-16-17-13(20-12)18(8-9-19)11-6-4-5-7-11/h11,15,19H,4-10H2,1-3H3
InChIKeyZSIBIWLCRUPBTR-UHFFFAOYSA-N
XLogP1.70
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106969105
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106957161
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol
CID 106957155
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269
N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963261
2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
CID 63071100
N-cyclopentyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969096
N-cyclohexyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968010
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106968014
5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol (CID 106971108) is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol is CC(C)(C)NCc1nnc(N(CCO)C2CCCC2)o1.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol?
The InChIKey is ZSIBIWLCRUPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,3)15-10-12-16-17-13(20-12)18(8-9-19)11-6-4-5-7-11/h11,15,19H,4-10H2,1-3H3.
What are the key properties of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol?
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol has a molecular weight of 282.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol is sourced from PubChem (CID 106971108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).