1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

C14H12Cl2N4O — CID 107676145

IUPAC1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2ncc(-c3nc4cc(Cl)cc(Cl)c4o3)[nH]2)CCC1
InChIInChI=1S/C14H12Cl2N4O/c15-7-4-8(16)11-9(5-7)19-12(21-11)10-6-18-13(20-10)14(17)2-1-3-14/h4-6H,1-3,17H2,(H,18,20)
InChIKeyJQXPCFHWWBNALX-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.86
Rot. Bonds2

About 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (PubChem CID 107676145) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
PubChem CID107676145
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2ncc(-c3nc4cc(Cl)cc(Cl)c4o3)[nH]2)CCC1
InChIInChI=1S/C14H12Cl2N4O/c15-7-4-8(16)11-9(5-7)19-12(21-11)10-6-18-13(20-10)14(17)2-1-3-14/h4-6H,1-3,17H2,(H,18,20)
InChIKeyJQXPCFHWWBNALX-UHFFFAOYSA-N
XLogP3.86
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (CID 107676145) is 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is NC1(c2ncc(-c3nc4cc(Cl)cc(Cl)c4o3)[nH]2)CCC1.
What is the InChIKey of 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The InChIKey is JQXPCFHWWBNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-7-4-8(16)11-9(5-7)19-12(21-11)10-6-18-13(20-10)14(17)2-1-3-14/h4-6H,1-3,17H2,(H,18,20).
What are the key properties of 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine has a molecular weight of 323.18 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 107676145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).