N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine

C14H13N6O3- — CID 163127552

IUPACN-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine
SMILES[O-]N(O)c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)c1
InChIInChI=1S/C14H13N6O3/c21-20(22)9-3-1-2-8(4-9)13-18-14(23-19-13)11-5-10-12(6-15-11)17-7-16-10/h1-4,7,11,15,21H,5-6H2,(H,16,17)/q-1/t11-/m0/s1
InChIKeyUGFIKHNNDWRDKB-NSHDSACASA-N
MW313.30 g/mol
LogP1.54
Rot. Bonds3

About N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine

N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine (PubChem CID 163127552) has the molecular formula C14H13N6O3- and a molecular weight of 313.30 g/mol. Its IUPAC name is N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine
PubChem CID163127552
Molecular FormulaC14H13N6O3-
Molecular Weight313.30 g/mol
Exact Mass313.11
IUPAC NameN-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine
SMILES[O-]N(O)c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)c1
InChIInChI=1S/C14H13N6O3/c21-20(22)9-3-1-2-8(4-9)13-18-14(23-19-13)11-5-10-12(6-15-11)17-7-16-10/h1-4,7,11,15,21H,5-6H2,(H,16,17)/q-1/t11-/m0/s1
InChIKeyUGFIKHNNDWRDKB-NSHDSACASA-N
XLogP1.54
TPSA126.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine with MolForge

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Related Compounds

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
3-(furan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79344450
3-cyclopropyl-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 51136224
3-cyclopropyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75614432
3-(5-fluoro-2-pyridinyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79704097
3-benzyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 75111408
3-ethyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343357
3-propyl-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79343799
3-(4-methylpiperazin-1-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116807674
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
3-(ethylsulfanylmethyl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 79344641

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine?
The IUPAC name of N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine (CID 163127552) is N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine.
What is the SMILES notation for N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine?
The canonical SMILES for N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine is [O-]N(O)c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)c1.
What is the InChIKey of N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine?
The InChIKey is UGFIKHNNDWRDKB-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N6O3/c21-20(22)9-3-1-2-8(4-9)13-18-14(23-19-13)11-5-10-12(6-15-11)17-7-16-10/h1-4,7,11,15,21H,5-6H2,(H,16,17)/q-1/t11-/m0/s1.
What are the key properties of N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine?
N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine has a molecular weight of 313.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[3-[5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]phenyl]hydroxylamine is sourced from PubChem (CID 163127552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).