1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C16H21N3O3 — CID 120853984

IUPAC1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1cc(C)ccc1OCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C16H21N3O3/c1-11-5-6-12(13(9-11)20-2)21-10-14-18-15(19-22-14)16(17)7-3-4-8-16/h5-6,9H,3-4,7-8,10,17H2,1-2H3
InChIKeyOSAAUAWDGYJFMF-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.69
Rot. Bonds5

About 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120853984) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120853984
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCOc1cc(C)ccc1OCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C16H21N3O3/c1-11-5-6-12(13(9-11)20-2)21-10-14-18-15(19-22-14)16(17)7-3-4-8-16/h5-6,9H,3-4,7-8,10,17H2,1-2H3
InChIKeyOSAAUAWDGYJFMF-UHFFFAOYSA-N
XLogP2.69
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120853984) is 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is COc1cc(C)ccc1OCc1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is OSAAUAWDGYJFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-5-6-12(13(9-11)20-2)21-10-14-18-15(19-22-14)16(17)7-3-4-8-16/h5-6,9H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 303.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120853984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).