N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine

C14H25N3O2 — CID 116704048

IUPACN-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
SMILESCOC(c1noc(CNC2CCCC2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-14(2,3)12(18-4)13-16-11(19-17-13)9-15-10-7-5-6-8-10/h10,12,15H,5-9H2,1-4H3
InChIKeyNRUSMDIBOWZVGC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.84
Rot. Bonds5

About N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine

N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine (PubChem CID 116704048) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
PubChem CID116704048
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
SMILESCOC(c1noc(CNC2CCCC2)n1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-14(2,3)12(18-4)13-16-11(19-17-13)9-15-10-7-5-6-8-10/h10,12,15H,5-9H2,1-4H3
InChIKeyNRUSMDIBOWZVGC-UHFFFAOYSA-N
XLogP2.84
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116703910
1-cyclopropyl-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116704058
N-[[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 112743560
trans-(1R,2S)-2-tert-butyl-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 124731860
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 116704120
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733518
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
CID 116703950
N-[[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 116743473
4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 116704022
5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704042
N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730572

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine (CID 116704048) is N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine is COC(c1noc(CNC2CCCC2)n1)C(C)(C)C.
What is the InChIKey of N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is NRUSMDIBOWZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)12(18-4)13-16-11(19-17-13)9-15-10-7-5-6-8-10/h10,12,15H,5-9H2,1-4H3.
What are the key properties of N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 267.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 116704048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).