N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide

C19H18N6O3S — CID 163168475

IUPACN-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide
SMILES[O-][NH+](O)c1cccc(-c2noc(C3Cc4nc[nH]c4CN3Cc3cccs3)n2)c1
InChIInChI=1S/C19H18N6O3S/c26-25(27)13-4-1-3-12(7-13)18-22-19(28-23-18)17-8-15-16(21-11-20-15)10-24(17)9-14-5-2-6-29-14/h1-7,11,17,25-26H,8-10H2,(H,20,21)
InChIKeyUJNWPJBLNFHESE-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.22
Rot. Bonds5

About N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide

N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide (PubChem CID 163168475) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide
PubChem CID163168475
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC NameN-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide
SMILES[O-][NH+](O)c1cccc(-c2noc(C3Cc4nc[nH]c4CN3Cc3cccs3)n2)c1
InChIInChI=1S/C19H18N6O3S/c26-25(27)13-4-1-3-12(7-13)18-22-19(28-23-18)17-8-15-16(21-11-20-15)10-24(17)9-14-5-2-6-29-14/h1-7,11,17,25-26H,8-10H2,(H,20,21)
InChIKeyUJNWPJBLNFHESE-UHFFFAOYSA-N
XLogP2.22
TPSA118.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide 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-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 74507574
3-(4-methoxyphenyl)-5-[(6S)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744942
N-hydroxy-3-[5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]benzeneamine oxide
CID 163127549
4-[[6-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 163140079
5-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 74507576
4-[[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 74507577
3-(3-methylphenyl)-5-[(6S)-5-[[3-(trifluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744868
[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 74507723
5-[(6S)-5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 26744932
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744812
5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(thiophen-2-ylmethyl)pyrrolidin-3-ol
CID 74506797
N-hydroxy-3-[5-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide
CID 163123561

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide?
The IUPAC name of N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide (CID 163168475) is N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide is [O-][NH+](O)c1cccc(-c2noc(C3Cc4nc[nH]c4CN3Cc3cccs3)n2)c1.
What is the InChIKey of N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide?
The InChIKey is UJNWPJBLNFHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c26-25(27)13-4-1-3-12(7-13)18-22-19(28-23-18)17-8-15-16(21-11-20-15)10-24(17)9-14-5-2-6-29-14/h1-7,11,17,25-26H,8-10H2,(H,20,21).
What are the key properties of N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide?
N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide has a molecular weight of 410.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]benzeneamine oxide is sourced from PubChem (CID 163168475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).