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

C21H21N3O2 — CID 100706328

IUPACN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H21N3O2/c1-24(14-19-22-20(23-26-19)16-8-3-2-4-9-16)21(25)18-12-11-15-7-5-6-10-17(15)13-18/h2-4,8-9,11-13H,5-7,10,14H2,1H3
InChIKeyQCEGPQLKASSLOD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.89
Rot. Bonds4

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

N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100706328) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100706328
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H21N3O2/c1-24(14-19-22-20(23-26-19)16-8-3-2-4-9-16)21(25)18-12-11-15-7-5-6-10-17(15)13-18/h2-4,8-9,11-13H,5-7,10,14H2,1H3
InChIKeyQCEGPQLKASSLOD-UHFFFAOYSA-N
XLogP3.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(3-phenyl-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-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706341
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 25313317
N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835651
4-methoxy-N-methyl-3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 7677342
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133265098
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 6485272
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide
CID 167969254
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100619235

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100706328) is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is QCEGPQLKASSLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24(14-19-22-20(23-26-19)16-8-3-2-4-9-16)21(25)18-12-11-15-7-5-6-10-17(15)13-18/h2-4,8-9,11-13H,5-7,10,14H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100706328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).