4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide

C19H15N5O2 — CID 137305799

IUPAC4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1
InChIInChI=1S/C19H15N5O2/c20-17-9-14(13-3-1-2-4-15(13)23-17)16-10-22-19(26-16)12-7-5-11(6-8-12)18(21)24-25/h1-10,25H,(H2,20,23)(H2,21,24)
InChIKeyZUDGYOOTVPSVGY-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.23
Rot. Bonds3

About 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide

4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 137305799) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID137305799
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1
InChIInChI=1S/C19H15N5O2/c20-17-9-14(13-3-1-2-4-15(13)23-17)16-10-22-19(26-16)12-7-5-11(6-8-12)18(21)24-25/h1-10,25H,(H2,20,23)(H2,21,24)
InChIKeyZUDGYOOTVPSVGY-UHFFFAOYSA-N
XLogP3.23
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoquinolin-4-yl)-N'-hydroxy-1,3-benzoxazole-6-carboximidamide
CID 148767830
4-[2-(2-aminoquinolin-4-yl)ethynyl]-N'-hydroxybenzenecarboximidamide
CID 138724514
4-[[(2-aminoquinolin-4-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 154039588
4-[2-(2-phenylquinolin-4-yl)-1,3-oxazol-5-yl]phenol
CID 135549299
2-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 11128316
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxybenzenecarboximidamide
CID 142861747
4-[4-(1-aminoisoquinolin-4-yl)triazol-1-yl]-N'-hydroxybenzenecarboximidamide
CID 137305806
N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135447764
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
4-(2H-triazol-4-yl)quinolin-2-amine
CID 170518654

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide (CID 137305799) is 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1.
What is the InChIKey of 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZUDGYOOTVPSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-17-9-14(13-3-1-2-4-15(13)23-17)16-10-22-19(26-16)12-7-5-11(6-8-12)18(21)24-25/h1-10,25H,(H2,20,23)(H2,21,24).
What are the key properties of 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide?
4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 345.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 137305799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).