methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate

C19H18N4O6 — CID 169151278

IUPACmethyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
SMILESC=C(NC(=O)c1coc(-c2ccc(NC(C)=O)cc2)n1)C(=O)NC(=C)C(=O)OC
InChIInChI=1S/C19H18N4O6/c1-10(16(25)21-11(2)19(27)28-4)20-17(26)15-9-29-18(23-15)13-5-7-14(8-6-13)22-12(3)24/h5-9H,1-2H2,3-4H3,(H,20,26)(H,21,25)(H,22,24)
InChIKeyKERHSNVFGYKNRM-UHFFFAOYSA-N
MW398.38 g/mol
LogP1.35
Rot. Bonds7

About methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate

methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate (PubChem CID 169151278) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
PubChem CID169151278
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Namemethyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
SMILESC=C(NC(=O)c1coc(-c2ccc(NC(C)=O)cc2)n1)C(=O)NC(=C)C(=O)OC
InChIInChI=1S/C19H18N4O6/c1-10(16(25)21-11(2)19(27)28-4)20-17(26)15-9-29-18(23-15)13-5-7-14(8-6-13)22-12(3)24/h5-9H,1-2H2,3-4H3,(H,20,26)(H,21,25)(H,22,24)
InChIKeyKERHSNVFGYKNRM-UHFFFAOYSA-N
XLogP1.35
TPSA139.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-[1-[(1-amino-1-oxobut-2-en-2-yl)amino]-1-oxobut-2-en-2-yl]-1,3-oxazole-4-carboxamide
CID 174100698
methyl 2-[2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
CID 169151279
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone
CID 115084506
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
methyl 2-[2-[5-(4-acetamidophenyl)-1-oxophthalazin-2-yl]prop-2-enoylamino]prop-2-enoate
CID 176709395
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
1-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 115084507

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate?
The IUPAC name of methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate (CID 169151278) is methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate.
What is the SMILES notation for methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate?
The canonical SMILES for methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate is C=C(NC(=O)c1coc(-c2ccc(NC(C)=O)cc2)n1)C(=O)NC(=C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate?
The InChIKey is KERHSNVFGYKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-10(16(25)21-11(2)19(27)28-4)20-17(26)15-9-29-18(23-15)13-5-7-14(8-6-13)22-12(3)24/h5-9H,1-2H2,3-4H3,(H,20,26)(H,21,25)(H,22,24).
What are the key properties of methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate?
methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate has a molecular weight of 398.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(4-acetamidophenyl)-1,3-oxazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate is sourced from PubChem (CID 169151278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).