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

C15H16N4O — CID 60917595

IUPAC1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESCc1ccc2oc(-c3cnc(C4(N)CCC4)[nH]3)nc2c1
InChIInChI=1S/C15H16N4O/c1-9-3-4-12-10(7-9)18-13(20-12)11-8-17-14(19-11)15(16)5-2-6-15/h3-4,7-8H,2,5-6,16H2,1H3,(H,17,19)
InChIKeyZTEMTWSOEFWLFX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.86
Rot. Bonds2

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

1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (PubChem CID 60917595) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
PubChem CID60917595
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESCc1ccc2oc(-c3cnc(C4(N)CCC4)[nH]3)nc2c1
InChIInChI=1S/C15H16N4O/c1-9-3-4-12-10(7-9)18-13(20-12)11-8-17-14(19-11)15(16)5-2-6-15/h3-4,7-8H,2,5-6,16H2,1H3,(H,17,19)
InChIKeyZTEMTWSOEFWLFX-UHFFFAOYSA-N
XLogP2.86
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (CID 60917595) is 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is Cc1ccc2oc(-c3cnc(C4(N)CCC4)[nH]3)nc2c1.
What is the InChIKey of 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The InChIKey is ZTEMTWSOEFWLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-3-4-12-10(7-9)18-13(20-12)11-8-17-14(19-11)15(16)5-2-6-15/h3-4,7-8H,2,5-6,16H2,1H3,(H,17,19).
What are the key properties of 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1,3-benzoxazol-2-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 60917595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).