N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide

C18H16N6O2 — CID 129359252

IUPACN-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1noc(C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)c2ccccc2)n1
InChIInChI=1S/C18H16N6O2/c1-11-19-17(26-23-11)10-15(12-5-3-2-4-6-12)20-18(25)13-7-8-14-16(9-13)22-24-21-14/h2-9,15H,10H2,1H3,(H,20,25)(H,21,22,24)/t15-/m1/s1
InChIKeyQSWAJUAEAFIYFN-OAHLLOKOSA-N
MW348.37 g/mol
LogP2.36
Rot. Bonds5

About N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide

N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 129359252) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide
PubChem CID129359252
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide
SMILESCc1noc(C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)c2ccccc2)n1
InChIInChI=1S/C18H16N6O2/c1-11-19-17(26-23-11)10-15(12-5-3-2-4-6-12)20-18(25)13-7-8-14-16(9-13)22-24-21-14/h2-9,15H,10H2,1H3,(H,20,25)(H,21,22,24)/t15-/m1/s1
InChIKeyQSWAJUAEAFIYFN-OAHLLOKOSA-N
XLogP2.36
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-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

3-amino-N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]pyrazine-2-carboxamide
CID 129359034
N-[(1S)-1-(4-methylphenyl)propyl]-2H-benzotriazole-5-carboxamide
CID 51562771
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 121176353
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2R)-2-benzamido-3-phenylpropanoate
CID 31048252
4-(5-fluoro-2,3-dihydroindol-1-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]piperidine-1-carboxamide
CID 154805799
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 167958821
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide (CID 129359252) is N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide is Cc1noc(C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)c2ccccc2)n1.
What is the InChIKey of N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is QSWAJUAEAFIYFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11-19-17(26-23-11)10-15(12-5-3-2-4-6-12)20-18(25)13-7-8-14-16(9-13)22-24-21-14/h2-9,15H,10H2,1H3,(H,20,25)(H,21,22,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide?
N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 129359252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).