N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C22H23N3O3 — CID 100706500

IUPACN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)CCCC4)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-27-19-11-9-16(10-12-19)21-24-20(28-25-21)14-23-22(26)18-8-7-15-5-3-4-6-17(15)13-18/h7-13H,2-6,14H2,1H3,(H,23,26)
InChIKeyMUHZKILLGCQMRB-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.94
Rot. Bonds6

About N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100706500) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100706500
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)CCCC4)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-27-19-11-9-16(10-12-19)21-24-20(28-25-21)14-23-22(26)18-8-7-15-5-3-4-6-17(15)13-18/h7-13H,2-6,14H2,1H3,(H,23,26)
InChIKeyMUHZKILLGCQMRB-UHFFFAOYSA-N
XLogP3.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100517831
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100717253
2-(4-ethoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 110322807
N-cyclopropyl-3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methylbenzamide
CID 60537287
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-methylprop-2-enoxy)benzamide
CID 18524898
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
CID 8836688
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 46578398
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
ethyl 4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamothioylamino]-3-methylbenzoate
CID 100762427

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100706500) is N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCOc1ccc(-c2noc(CNC(=O)c3ccc4c(c3)CCCC4)n2)cc1.
What is the InChIKey of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is MUHZKILLGCQMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-27-19-11-9-16(10-12-19)21-24-20(28-25-21)14-23-22(26)18-8-7-15-5-3-4-6-17(15)13-18/h7-13H,2-6,14H2,1H3,(H,23,26).
What are the key properties of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100706500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).