2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide

C24H27N5O3 — CID 171637966

IUPAC2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3OCC(=O)NC(C)C)c2c1
InChIInChI=1S/C24H27N5O3/c1-14(2)27-22(30)12-31-21-8-6-5-7-17(21)11-29-13-26-24-19(25)9-18(10-20(24)29)23-15(3)28-32-16(23)4/h5-10,13-14H,11-12,25H2,1-4H3,(H,27,30)
InChIKeyHZQSRYAICGDDIS-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.84
Rot. Bonds7

About 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide

2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 171637966) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID171637966
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3OCC(=O)NC(C)C)c2c1
InChIInChI=1S/C24H27N5O3/c1-14(2)27-22(30)12-31-21-8-6-5-7-17(21)11-29-13-26-24-19(25)9-18(10-20(24)29)23-15(3)28-32-16(23)4/h5-10,13-14H,11-12,25H2,1-4H3,(H,27,30)
InChIKeyHZQSRYAICGDDIS-UHFFFAOYSA-N
XLogP3.84
TPSA108.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide (CID 171637966) is 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide is Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3OCC(=O)NC(C)C)c2c1.
What is the InChIKey of 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is HZQSRYAICGDDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14(2)27-22(30)12-31-21-8-6-5-7-17(21)11-29-13-26-24-19(25)9-18(10-20(24)29)23-15(3)28-32-16(23)4/h5-10,13-14H,11-12,25H2,1-4H3,(H,27,30).
What are the key properties of 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide?
2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 433.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 171637966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).