3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide

C21H17N3O5 — CID 110402400

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCOc1ccc(-c2cnoc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H17N3O5/c1-28-14-8-6-13(7-9-14)17-12-22-29-19(17)23-18(25)10-11-24-20(26)15-4-2-3-5-16(15)21(24)27/h2-9,12H,10-11H2,1H3,(H,23,25)
InChIKeyJQBVGHXEJJSIBA-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.97
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide (PubChem CID 110402400) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
PubChem CID110402400
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCOc1ccc(-c2cnoc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H17N3O5/c1-28-14-8-6-13(7-9-14)17-12-22-29-19(17)23-18(25)10-11-24-20(26)15-4-2-3-5-16(15)21(24)27/h2-9,12H,10-11H2,1H3,(H,23,25)
InChIKeyJQBVGHXEJJSIBA-UHFFFAOYSA-N
XLogP2.97
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402251
3-(2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402430
2-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 110402410
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100772662
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide
CID 110402364
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
CID 55661422
N-(2,4-dimethoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591872
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423672

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide (CID 110402400) is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide is COc1ccc(-c2cnoc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is JQBVGHXEJJSIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-28-14-8-6-13(7-9-14)17-12-22-29-19(17)23-18(25)10-11-24-20(26)15-4-2-3-5-16(15)21(24)27/h2-9,12H,10-11H2,1H3,(H,23,25).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 391.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 110402400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).