[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine

C17H29N3O — CID 81164248

IUPAC[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESCCCC1CCC(c2noc(CC3(CN)CCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-2-4-13-5-7-14(8-6-13)16-19-15(21-20-16)11-17(12-18)9-3-10-17/h13-14H,2-12,18H2,1H3
InChIKeyCVOXKTCRJFQXJU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.82
Rot. Bonds6

About [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine

[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (PubChem CID 81164248) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
PubChem CID81164248
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESCCCC1CCC(c2noc(CC3(CN)CCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-2-4-13-5-7-14(8-6-13)16-19-15(21-20-16)11-17(12-18)9-3-10-17/h13-14H,2-12,18H2,1H3
InChIKeyCVOXKTCRJFQXJU-UHFFFAOYSA-N
XLogP3.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
2-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65422885
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292615
N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79273260
[1-[[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 115385389
4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192299
1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79841806
[1-[[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 115385189
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
CID 81161290
[1-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 65330933

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (CID 81164248) is [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is CCCC1CCC(c2noc(CC3(CN)CCC3)n2)CC1.
What is the InChIKey of [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The InChIKey is CVOXKTCRJFQXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-4-13-5-7-14(8-6-13)16-19-15(21-20-16)11-17(12-18)9-3-10-17/h13-14H,2-12,18H2,1H3.
What are the key properties of [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81164248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).