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

C13H18N4O2 — CID 120850191

IUPAC1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1noc(C)c1Cc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C13H18N4O2/c1-8-10(9(2)18-16-8)7-11-15-12(17-19-11)13(14)5-3-4-6-13/h3-7,14H2,1-2H3
InChIKeyFDSBCTGRJBIBCW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.99
Rot. Bonds3

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

1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850191) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850191
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1noc(C)c1Cc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C13H18N4O2/c1-8-10(9(2)18-16-8)7-11-15-12(17-19-11)13(14)5-3-4-6-13/h3-7,14H2,1-2H3
InChIKeyFDSBCTGRJBIBCW-UHFFFAOYSA-N
XLogP1.99
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850191) is 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1noc(C)c1Cc1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is FDSBCTGRJBIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-10(9(2)18-16-8)7-11-15-12(17-19-11)13(14)5-3-4-6-13/h3-7,14H2,1-2H3.
What are the key properties of 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 262.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).