2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine

C17H22N4O2 — CID 118864273

IUPAC2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine
SMILESCOc1cc2nc(C(C)(N)CC(C)C)[nH]c2cc1-c1cnco1
InChIInChI=1S/C17H22N4O2/c1-10(2)7-17(3,18)16-20-12-5-11(15-8-19-9-23-15)14(22-4)6-13(12)21-16/h5-6,8-10H,7,18H2,1-4H3,(H,20,21)
InChIKeyHGSMPUBZQGTNBB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.45
Rot. Bonds5

About 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine

2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine (PubChem CID 118864273) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine
PubChem CID118864273
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine
SMILESCOc1cc2nc(C(C)(N)CC(C)C)[nH]c2cc1-c1cnco1
InChIInChI=1S/C17H22N4O2/c1-10(2)7-17(3,18)16-20-12-5-11(15-8-19-9-23-15)14(22-4)6-13(12)21-16/h5-6,8-10H,7,18H2,1-4H3,(H,20,21)
InChIKeyHGSMPUBZQGTNBB-UHFFFAOYSA-N
XLogP3.45
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]pentan-2-amine
CID 118864481
(R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine
CID 118864227
5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1,3-oxazole
CID 68972183
5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
CID 121255881
2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinoline-4-carbonitrile
CID 159798809
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
2-amino-N-[2-chloro-5-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 121363306
3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
CID 23577995
(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine
CID 159605676
2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide
CID 141435391
2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798999
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine?
The IUPAC name of 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine (CID 118864273) is 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine.
What is the SMILES notation for 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine?
The canonical SMILES for 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine is COc1cc2nc(C(C)(N)CC(C)C)[nH]c2cc1-c1cnco1.
What is the InChIKey of 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine?
The InChIKey is HGSMPUBZQGTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10(2)7-17(3,18)16-20-12-5-11(15-8-19-9-23-15)14(22-4)6-13(12)21-16/h5-6,8-10H,7,18H2,1-4H3,(H,20,21).
What are the key properties of 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine?
2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine is sourced from PubChem (CID 118864273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).