N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide

C18H18N2O4 — CID 110765255

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C18H18N2O4/c1-12-20-16-8-3-13(11-17(16)24-12)18(21)19-9-10-23-15-6-4-14(22-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyFRZPWZJLBNXYIH-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 110765255) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID110765255
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc3nc(C)oc3c2)cc1
InChIInChI=1S/C18H18N2O4/c1-12-20-16-8-3-13(11-17(16)24-12)18(21)19-9-10-23-15-6-4-14(22-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyFRZPWZJLBNXYIH-UHFFFAOYSA-N
XLogP2.95
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide (CID 110765255) is N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide is COc1ccc(OCCNC(=O)c2ccc3nc(C)oc3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is FRZPWZJLBNXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-20-16-8-3-13(11-17(16)24-12)18(21)19-9-10-23-15-6-4-14(22-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).