2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H20N4O4 — CID 78905703

IUPAC2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CON=C(N)c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H20N4O4/c1-14-11-18(23-28-14)22-19(25)13-27-24-20(21)16-7-9-17(10-8-16)26-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H2,21,24)(H,22,23,25)
InChIKeyJAWBGRRSYHKKBA-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.84
Rot. Bonds8

About 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 78905703) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID78905703
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CON=C(N)c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C20H20N4O4/c1-14-11-18(23-28-14)22-19(25)13-27-24-20(21)16-7-9-17(10-8-16)26-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H2,21,24)(H,22,23,25)
InChIKeyJAWBGRRSYHKKBA-UHFFFAOYSA-N
XLogP2.84
TPSA111.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271
2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 99085781
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate
CID 7841024
3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
CID 47079159
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(phenoxymethyl)benzoate
CID 24527017
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 72691935
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 78905703) is 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CON=C(N)c2ccc(OCc3ccccc3)cc2)no1.
What is the InChIKey of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JAWBGRRSYHKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-14-11-18(23-28-14)22-19(25)13-27-24-20(21)16-7-9-17(10-8-16)26-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H2,21,24)(H,22,23,25).
What are the key properties of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 78905703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).