N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

C17H17N5O2 — CID 124577296

IUPACN-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)no1
InChIInChI=1S/C17H17N5O2/c1-11-19-16(21-24-11)17(23)20-15-13-5-3-2-4-12(13)6-7-14(15)22-9-8-18-10-22/h2-5,8-10,14-15H,6-7H2,1H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyMSYWMRZZQAUHEG-GJZGRUSLSA-N
MW323.36 g/mol
LogP2.23
Rot. Bonds3

About N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 124577296) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID124577296
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)no1
InChIInChI=1S/C17H17N5O2/c1-11-19-16(21-24-11)17(23)20-15-13-5-3-2-4-12(13)6-7-14(15)22-9-8-18-10-22/h2-5,8-10,14-15H,6-7H2,1H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyMSYWMRZZQAUHEG-GJZGRUSLSA-N
XLogP2.23
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-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-[(1S,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124577298
N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide
CID 97051236
1-(2,3-dimethylphenyl)-3-[(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96542591
N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97006459
(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
CID 146100955
1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 71855313
1-[(1S,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 96538310
(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 28793311
2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 126831975
7-imidazol-1-yl-8-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67854432
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 128977398
N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
CID 138024753

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 124577296) is N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)no1.
What is the InChIKey of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MSYWMRZZQAUHEG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-19-16(21-24-11)17(23)20-15-13-5-3-2-4-12(13)6-7-14(15)22-9-8-18-10-22/h2-5,8-10,14-15H,6-7H2,1H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 124577296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).