2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H20N4O4 — CID 42769233

IUPAC2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESC=CCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H20N4O4/c1-4-8-21(11-16(22)19-15-9-12(2)25-20-15)17(23)18-13-6-5-7-14(10-13)24-3/h4-7,9-10H,1,8,11H2,2-3H3,(H,18,23)(H,19,20,22)
InChIKeyLFIXBBPIOTZVCQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.65
Rot. Bonds7

About 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42769233) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42769233
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESC=CCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H20N4O4/c1-4-8-21(11-16(22)19-15-9-12(2)25-20-15)17(23)18-13-6-5-7-14(10-13)24-3/h4-7,9-10H,1,8,11H2,2-3H3,(H,18,23)(H,19,20,22)
InChIKeyLFIXBBPIOTZVCQ-UHFFFAOYSA-N
XLogP2.65
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813785
2-[(2,3-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4183757
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770429
2-[(2-fluorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813778
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 42770234
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 4616353
2,2-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylacetamide
CID 42770232
1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814069

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42769233) is 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is C=CCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LFIXBBPIOTZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-4-8-21(11-16(22)19-15-9-12(2)25-20-15)17(23)18-13-6-5-7-14(10-13)24-3/h4-7,9-10H,1,8,11H2,2-3H3,(H,18,23)(H,19,20,22).
What are the key properties of 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).