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

C17H23N3O — CID 63350528

IUPACN-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(C)C(C)c1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C17H23N3O/c1-11(12(2)18-3)17-19-16(20-21-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11-12,15,18H,6,8,10H2,1-3H3
InChIKeyVIDFSNKHCJKJRO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds4

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

N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63350528) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63350528
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(C)C(C)c1nc(C2CCCc3ccccc32)no1
InChIInChI=1S/C17H23N3O/c1-11(12(2)18-3)17-19-16(20-21-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11-12,15,18H,6,8,10H2,1-3H3
InChIKeyVIDFSNKHCJKJRO-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-methyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901605
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55174707
3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350305
(1S)-2-methyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900106
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685855
(1R)-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565328
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500568
3-methoxy-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 63246972
3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64986127
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404693
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350397
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63350528) is N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CNC(C)C(C)c1nc(C2CCCc3ccccc32)no1.
What is the InChIKey of N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is VIDFSNKHCJKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(12(2)18-3)17-19-16(20-21-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11-12,15,18H,6,8,10H2,1-3H3.
What are the key properties of N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63350528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).