(1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine

C15H17FN4O — CID 118864375

IUPAC(1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1nc2cc(-c3cnco3)c(F)cc2[nH]1
InChIInChI=1S/C15H17FN4O/c1-8(2)3-11(17)15-19-12-4-9(14-6-18-7-21-14)10(16)5-13(12)20-15/h4-8,11H,3,17H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyZPLSIQHQPBDYOF-LLVKDONJSA-N
MW288.33 g/mol
LogP3.40
Rot. Bonds4

About (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine

(1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 118864375) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine
PubChem CID118864375
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1nc2cc(-c3cnco3)c(F)cc2[nH]1
InChIInChI=1S/C15H17FN4O/c1-8(2)3-11(17)15-19-12-4-9(14-6-18-7-21-14)10(16)5-13(12)20-15/h4-8,11H,3,17H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyZPLSIQHQPBDYOF-LLVKDONJSA-N
XLogP3.40
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine (CID 118864375) is (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine is CC(C)C[C@@H](N)c1nc2cc(-c3cnco3)c(F)cc2[nH]1.
What is the InChIKey of (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is ZPLSIQHQPBDYOF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-8(2)3-11(17)15-19-12-4-9(14-6-18-7-21-14)10(16)5-13(12)20-15/h4-8,11H,3,17H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
(1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 288.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-fluoro-5-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 118864375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).