2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide

C26H22N4O5 — CID 20766427

IUPAC2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide
SMILESCOc1cc(NOC#CONc2cccc(CC(=O)Nc3ccccc3)c2)ccc1-c1cnco1
InChIInChI=1S/C26H22N4O5/c1-32-24-16-22(10-11-23(24)25-17-27-18-33-25)30-35-13-12-34-29-21-9-5-6-19(14-21)15-26(31)28-20-7-3-2-4-8-20/h2-11,14,16-18,29-30H,15H2,1H3,(H,28,31)
InChIKeyHZBRQQJYDNTGNV-UHFFFAOYSA-N
MW470.49 g/mol
LogP4.84
Rot. Bonds9

About 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide

2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide (PubChem CID 20766427) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide
PubChem CID20766427
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide
SMILESCOc1cc(NOC#CONc2cccc(CC(=O)Nc3ccccc3)c2)ccc1-c1cnco1
InChIInChI=1S/C26H22N4O5/c1-32-24-16-22(10-11-23(24)25-17-27-18-33-25)30-35-13-12-34-29-21-9-5-6-19(14-21)15-26(31)28-20-7-3-2-4-8-20/h2-11,14,16-18,29-30H,15H2,1H3,(H,28,31)
InChIKeyHZBRQQJYDNTGNV-UHFFFAOYSA-N
XLogP4.84
TPSA106.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N-[4-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]-2-methylpropyl]phenyl]benzamide
CID 20766919
2-[3-(difluoromethoxy)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide;N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 90177419
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
N'-[3-(aminomethyl)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide;2,2,2-trifluoroacetic acid
CID 22558403
(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline
CID 142907047
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
benzyl 3-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]benzoate
CID 10208554
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxamide
CID 10179570
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
CID 20766530
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 67047065

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide?
The IUPAC name of 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide (CID 20766427) is 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide is COc1cc(NOC#CONc2cccc(CC(=O)Nc3ccccc3)c2)ccc1-c1cnco1.
What is the InChIKey of 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide?
The InChIKey is HZBRQQJYDNTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-32-24-16-22(10-11-23(24)25-17-27-18-33-25)30-35-13-12-34-29-21-9-5-6-19(14-21)15-26(31)28-20-7-3-2-4-8-20/h2-11,14,16-18,29-30H,15H2,1H3,(H,28,31).
What are the key properties of 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide?
2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide has a molecular weight of 470.49 g/mol, XLogP of 4.84, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide is sourced from PubChem (CID 20766427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).