N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide

C18H18N4O3 — CID 46190553

IUPACN-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESCc1ccc(-c2noc(CNCc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-2-6-14(7-3-12)17-20-16(25-22-17)11-19-10-13-4-8-15(9-5-13)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
InChIKeyUQQNVHLKGVLXKE-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.45
Rot. Bonds6

About N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide

N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (PubChem CID 46190553) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
PubChem CID46190553
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESCc1ccc(-c2noc(CNCc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C18H18N4O3/c1-12-2-6-14(7-3-12)17-20-16(25-22-17)11-19-10-13-4-8-15(9-5-13)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
InChIKeyUQQNVHLKGVLXKE-UHFFFAOYSA-N
XLogP2.45
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 6460247
4-[5-[(pyridin-4-ylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56751844
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735150
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 99994856
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 100759222
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31544496
2,6-dichloro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875106

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (CID 46190553) is N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is Cc1ccc(-c2noc(CNCc3ccc(C(=O)NO)cc3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The InChIKey is UQQNVHLKGVLXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-2-6-14(7-3-12)17-20-16(25-22-17)11-19-10-13-4-8-15(9-5-13)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 46190553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).