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

C14H19N3OS — CID 65243169

IUPACN-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(-c3ccsc3)no2)CCCCC1
InChIInChI=1S/C14H19N3OS/c1-15-14(6-3-2-4-7-14)9-12-16-13(17-18-12)11-5-8-19-10-11/h5,8,10,15H,2-4,6-7,9H2,1H3
InChIKeyAXVDNWXRCHHPAM-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.26
Rot. Bonds4

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

N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 65243169) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID65243169
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nc(-c3ccsc3)no2)CCCCC1
InChIInChI=1S/C14H19N3OS/c1-15-14(6-3-2-4-7-14)9-12-16-13(17-18-12)11-5-8-19-10-11/h5,8,10,15H,2-4,6-7,9H2,1H3
InChIKeyAXVDNWXRCHHPAM-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (CID 65243169) is N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is CNC1(Cc2nc(-c3ccsc3)no2)CCCCC1.
What is the InChIKey of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is AXVDNWXRCHHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-14(6-3-2-4-7-14)9-12-16-13(17-18-12)11-5-8-19-10-11/h5,8,10,15H,2-4,6-7,9H2,1H3.
What are the key properties of N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65243169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).