N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide

C13H13N3O4 — CID 135782124

IUPACN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc(C)on2)ccc1O
InChIInChI=1S/C13H13N3O4/c1-8-5-10(16-20-8)13(18)15-14-7-9-3-4-11(17)12(6-9)19-2/h3-7,17H,1-2H3,(H,15,18)/b14-7-
InChIKeyUBTPYEKPVBQZFM-AUWJEWJLSA-N
MW275.26 g/mol
LogP1.46
Rot. Bonds4

About N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide

N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 135782124) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID135782124
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc(C)on2)ccc1O
InChIInChI=1S/C13H13N3O4/c1-8-5-10(16-20-8)13(18)15-14-7-9-3-4-11(17)12(6-9)19-2/h3-7,17H,1-2H3,(H,15,18)/b14-7-
InChIKeyUBTPYEKPVBQZFM-AUWJEWJLSA-N
XLogP1.46
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135521451
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
5-tert-butyl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135514234
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760842
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide (CID 135782124) is N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide is COc1cc(/C=N\NC(=O)c2cc(C)on2)ccc1O.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is UBTPYEKPVBQZFM-AUWJEWJLSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8-5-10(16-20-8)13(18)15-14-7-9-3-4-11(17)12(6-9)19-2/h3-7,17H,1-2H3,(H,15,18)/b14-7-.
What are the key properties of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135782124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).