N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C22H20N2O4 — CID 56530093

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3oc4ccccc4c3COC)on2)cc1
InChIInChI=1S/C22H20N2O4/c1-3-14-8-10-15(11-9-14)18-12-20(28-24-18)23-22(25)21-17(13-26-2)16-6-4-5-7-19(16)27-21/h4-12H,3,13H2,1-2H3,(H,23,25)
InChIKeyJANSYSXMJRDDLF-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.05
Rot. Bonds6

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 56530093) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID56530093
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3oc4ccccc4c3COC)on2)cc1
InChIInChI=1S/C22H20N2O4/c1-3-14-8-10-15(11-9-14)18-12-20(28-24-18)23-22(25)21-17(13-26-2)16-6-4-5-7-19(16)27-21/h4-12H,3,13H2,1-2H3,(H,23,25)
InChIKeyJANSYSXMJRDDLF-UHFFFAOYSA-N
XLogP5.05
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
3-(methoxymethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2524123
[2-(4-ethylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551748
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55434229
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 56530093) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is CCc1ccc(-c2cc(NC(=O)c3oc4ccccc4c3COC)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JANSYSXMJRDDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-3-14-8-10-15(11-9-14)18-12-20(28-24-18)23-22(25)21-17(13-26-2)16-6-4-5-7-19(16)27-21/h4-12H,3,13H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56530093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).