N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide

C18H13N5O2 — CID 51098204

IUPACN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1cnc2ccccc2n1
InChIInChI=1S/C18H13N5O2/c24-17(15-10-19-13-8-4-5-9-14(13)21-15)20-11-16-22-18(25-23-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,24)
InChIKeyUTWLBXBRCWUUKG-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.61
Rot. Bonds4

About N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide (PubChem CID 51098204) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
PubChem CID51098204
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1cnc2ccccc2n1
InChIInChI=1S/C18H13N5O2/c24-17(15-10-19-13-8-4-5-9-14(13)21-15)20-11-16-22-18(25-23-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,24)
InChIKeyUTWLBXBRCWUUKG-UHFFFAOYSA-N
XLogP2.61
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-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

5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
CID 91795068
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 162758998
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 90653338
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide (CID 51098204) is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide is O=C(NCc1noc(-c2ccccc2)n1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide?
The InChIKey is UTWLBXBRCWUUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-17(15-10-19-13-8-4-5-9-14(13)21-15)20-11-16-22-18(25-23-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,24).
What are the key properties of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide?
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 51098204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).