N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide

C14H18N4O3 — CID 106372791

IUPACN'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1ccc(CNCc2ncc(C)o2)cc1/C(N)=N/O
InChIInChI=1S/C14H18N4O3/c1-9-6-17-13(21-9)8-16-7-10-3-4-12(20-2)11(5-10)14(15)18-19/h3-6,16,19H,7-8H2,1-2H3,(H2,15,18)
InChIKeyZTZGQCWHYWWESF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.38
Rot. Bonds6

About N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide (PubChem CID 106372791) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide
PubChem CID106372791
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1ccc(CNCc2ncc(C)o2)cc1/C(N)=N/O
InChIInChI=1S/C14H18N4O3/c1-9-6-17-13(21-9)8-16-7-10-3-4-12(20-2)11(5-10)14(15)18-19/h3-6,16,19H,7-8H2,1-2H3,(H2,15,18)
InChIKeyZTZGQCWHYWWESF-UHFFFAOYSA-N
XLogP1.38
TPSA105.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.38
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

1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113252144
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136811550
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-2-methoxy-5-[(1,2-oxazol-5-ylmethylamino)methyl]benzenecarboximidamide
CID 106418431
N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
CID 77066173
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
N'-hydroxy-5-[(3-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065859
N'-hydroxy-2-methoxy-5-[(2-propan-2-yloxyethylamino)methyl]benzenecarboximidamide
CID 104762048
5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106177194
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
N'-hydroxy-5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxybenzenecarboximidamide
CID 77065968

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide (CID 106372791) is N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide is COc1ccc(CNCc2ncc(C)o2)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is ZTZGQCWHYWWESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-6-17-13(21-9)8-16-7-10-3-4-12(20-2)11(5-10)14(15)18-19/h3-6,16,19H,7-8H2,1-2H3,(H2,15,18).
What are the key properties of N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 290.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 106372791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).