(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C15H15N3O3 — CID 90538252

IUPAC(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1noc(C)c1CC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C15H15N3O3/c1-9-12(10(2)21-17-9)7-15(19)20-11-4-5-14-13(6-11)16-8-18(14)3/h4-6,8H,7H2,1-3H3
InChIKeySUOFMFSCLOADKI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.33
Rot. Bonds3

About (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 90538252) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID90538252
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1noc(C)c1CC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C15H15N3O3/c1-9-12(10(2)21-17-9)7-15(19)20-11-4-5-14-13(6-11)16-8-18(14)3/h4-6,8H,7H2,1-3H3
InChIKeySUOFMFSCLOADKI-UHFFFAOYSA-N
XLogP2.33
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-methylbenzimidazol-5-yl) 4-bromobutanoate
CID 90538196
(1-methylbenzimidazol-5-yl) N-ethylcarbamate
CID 90538309
(1-methylbenzimidazol-5-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 90538029
(4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55368439
(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate
CID 90538292
1,5-dimethylbenzimidazole;ethene
CID 145318091
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 35028531
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
(1-methylbenzimidazol-5-yl) 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylate
CID 90538243
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
(1-methylbenzimidazol-5-yl) propane-2-sulfonate
CID 90538357

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 90538252) is (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is Cc1noc(C)c1CC(=O)Oc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is SUOFMFSCLOADKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-12(10(2)21-17-9)7-15(19)20-11-4-5-14-13(6-11)16-8-18(14)3/h4-6,8H,7H2,1-3H3.
What are the key properties of (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 285.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 90538252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).