2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide

C21H18N2O3S — CID 16867643

IUPAC2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1cc(-c2cccs2)on1
InChIInChI=1S/C21H18N2O3S/c1-2-25-17-10-9-14-6-3-4-7-16(14)20(17)21(24)22-13-15-12-18(26-23-15)19-8-5-11-27-19/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyWILKANUHNBOKIZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.89
Rot. Bonds6

About 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide

2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide (PubChem CID 16867643) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide
PubChem CID16867643
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1cc(-c2cccs2)on1
InChIInChI=1S/C21H18N2O3S/c1-2-25-17-10-9-14-6-3-4-7-16(14)20(17)21(24)22-13-15-12-18(26-23-15)19-8-5-11-27-19/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyWILKANUHNBOKIZ-UHFFFAOYSA-N
XLogP4.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 90563722
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide
CID 90524106
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867606
2-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 122353684
2-(4-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867657
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866490
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
CID 16869588
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-ethoxynaphthalene-1-carboxylate
CID 16869971
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide
CID 121196333
2-(3-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867656
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 30295473

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide (CID 16867643) is 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCc1cc(-c2cccs2)on1.
What is the InChIKey of 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is WILKANUHNBOKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-2-25-17-10-9-14-6-3-4-7-16(14)20(17)21(24)22-13-15-12-18(26-23-15)19-8-5-11-27-19/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide?
2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 16867643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).