N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine

C16H27N3O2 — CID 127377767

IUPACN-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
SMILESCC(C)c1noc(CN(CC2CCCO2)C2CCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)16-17-15(21-18-16)11-19(13-6-3-4-7-13)10-14-8-5-9-20-14/h12-14H,3-11H2,1-2H3
InChIKeyWSWJIMFHTVJGRF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.12
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine

N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine (PubChem CID 127377767) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
PubChem CID127377767
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
SMILESCC(C)c1noc(CN(CC2CCCO2)C2CCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)16-17-15(21-18-16)11-19(13-6-3-4-7-13)10-14-8-5-9-20-14/h12-14H,3-11H2,1-2H3
InChIKeyWSWJIMFHTVJGRF-UHFFFAOYSA-N
XLogP3.12
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 126783794
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 94819408
N-(1,2-oxazol-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]cyclopentanamine
CID 95901998
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
CID 66214893
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078191
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
2-(oxolan-2-ylmethyl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111111936
N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 127923318
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 126771558
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 124755163
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91828743

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine (CID 127377767) is N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine is CC(C)c1noc(CN(CC2CCCO2)C2CCCC2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine?
The InChIKey is WSWJIMFHTVJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)16-17-15(21-18-16)11-19(13-6-3-4-7-13)10-14-8-5-9-20-14/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine?
N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine has a molecular weight of 293.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 127377767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).