N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H22N2O4 — CID 39285294

IUPACN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H22N2O4/c1-11-15(12(2)24-20-11)17(21)19-8-9-22-14-7-5-6-13-10-18(3,4)23-16(13)14/h5-7H,8-10H2,1-4H3,(H,19,21)
InChIKeySJTKZSCGBFYZQM-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.81
Rot. Bonds5

About N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 39285294) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID39285294
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCOc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H22N2O4/c1-11-15(12(2)24-20-11)17(21)19-8-9-22-14-7-5-6-13-10-18(3,4)23-16(13)14/h5-7H,8-10H2,1-4H3,(H,19,21)
InChIKeySJTKZSCGBFYZQM-UHFFFAOYSA-N
XLogP2.81
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 31826431
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31825874
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(methoxymethyl)benzamide
CID 39283875
ethyl 5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 39285632
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043
4-(acetamidomethyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 39284743
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 39284279
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-oxochromene-3-carboxamide
CID 39285808
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55852614

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 39285294) is N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCOc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is SJTKZSCGBFYZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-15(12(2)24-20-11)17(21)19-8-9-22-14-7-5-6-13-10-18(3,4)23-16(13)14/h5-7H,8-10H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39285294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).