N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

C15H25N3O2 — CID 65334735

IUPACN-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H25N3O2/c1-16-13-6-4-2-3-5-12(13)15-17-14(18-20-15)11-7-9-19-10-8-11/h11-13,16H,2-10H2,1H3
InChIKeyVLVWAWRAPFEWNY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.60
Rot. Bonds3

About N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (PubChem CID 65334735) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
PubChem CID65334735
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H25N3O2/c1-16-13-6-4-2-3-5-12(13)15-17-14(18-20-15)11-7-9-19-10-8-11/h11-13,16H,2-10H2,1H3
InChIKeyVLVWAWRAPFEWNY-UHFFFAOYSA-N
XLogP2.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350797
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N-methyloxolan-3-amine
CID 66237641
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
N-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474441
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116781300
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 64985486
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
CID 83201312
N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cycloheptan-1-amine
CID 63347847
N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80681119
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylcyclopentan-1-amine
CID 63348240
2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65390483

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The IUPAC name of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (CID 65334735) is N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is CNC1CCCCCC1c1nc(C2CCOCC2)no1.
What is the InChIKey of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The InChIKey is VLVWAWRAPFEWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16-13-6-4-2-3-5-12(13)15-17-14(18-20-15)11-7-9-19-10-8-11/h11-13,16H,2-10H2,1H3.
What are the key properties of N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is sourced from PubChem (CID 65334735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).