1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C15H13ClN4O2 — CID 120861080

IUPAC1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3cc(-c4ccc(Cl)cc4)on3)n2)CCC1
InChIInChI=1S/C15H13ClN4O2/c16-10-4-2-9(3-5-10)12-8-11(19-21-12)13-18-14(20-22-13)15(17)6-1-7-15/h2-5,8H,1,6-7,17H2
InChIKeyXDQLQKIHAUZFLX-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.38
Rot. Bonds3

About 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861080) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861080
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3cc(-c4ccc(Cl)cc4)on3)n2)CCC1
InChIInChI=1S/C15H13ClN4O2/c16-10-4-2-9(3-5-10)12-8-11(19-21-12)13-18-14(20-22-13)15(17)6-1-7-15/h2-5,8H,1,6-7,17H2
InChIKeyXDQLQKIHAUZFLX-UHFFFAOYSA-N
XLogP3.38
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120861080) is 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(-c3cc(-c4ccc(Cl)cc4)on3)n2)CCC1.
What is the InChIKey of 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is XDQLQKIHAUZFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-10-4-2-9(3-5-10)12-8-11(19-21-12)13-18-14(20-22-13)15(17)6-1-7-15/h2-5,8H,1,6-7,17H2.
What are the key properties of 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 316.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120861080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).