[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea

C12H13N5O3 — CID 127244163

IUPAC[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea
SMILESCc1nonc1COc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C12H13N5O3/c1-8-11(17-20-16-8)7-19-10-4-2-9(3-5-10)6-14-15-12(13)18/h2-6H,7H2,1H3,(H3,13,15,18)/b14-6+
InChIKeyUZNIXTKOBZJCAG-MKMNVTDBSA-N
MW275.27 g/mol
LogP0.96
Rot. Bonds5

About [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea

[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea (PubChem CID 127244163) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea
PubChem CID127244163
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea
SMILESCc1nonc1COc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C12H13N5O3/c1-8-11(17-20-16-8)7-19-10-4-2-9(3-5-10)6-14-15-12(13)18/h2-6H,7H2,1H3,(H3,13,15,18)/b14-6+
InChIKeyUZNIXTKOBZJCAG-MKMNVTDBSA-N
XLogP0.96
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110338795
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
[4-[(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3742555
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
2-hydroxy-N-[(E)-[3-methoxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]benzamide
CID 127244203
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6000143

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea (CID 127244163) is [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea is Cc1nonc1COc1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is UZNIXTKOBZJCAG-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-11(17-20-16-8)7-19-10-4-2-9(3-5-10)6-14-15-12(13)18/h2-6H,7H2,1H3,(H3,13,15,18)/b14-6+.
What are the key properties of [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea?
[(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 275.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 127244163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).