N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C23H15N3O4S — CID 56507040

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H15N3O4S/c1-13-19(25-21(30-13)18-10-5-11-31-18)20(27)24-14-6-4-7-15(12-14)26-22(28)16-8-2-3-9-17(16)23(26)29/h2-12H,1H3,(H,24,27)
InChIKeySHRROLXXXQLOAT-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.76
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 56507040) has the molecular formula C23H15N3O4S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID56507040
Molecular FormulaC23H15N3O4S
Molecular Weight429.46 g/mol
Exact Mass429.08
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H15N3O4S/c1-13-19(25-21(30-13)18-10-5-11-31-18)20(27)24-14-6-4-7-15(12-14)26-22(28)16-8-2-3-9-17(16)23(26)29/h2-12H,1H3,(H,24,27)
InChIKeySHRROLXXXQLOAT-UHFFFAOYSA-N
XLogP4.76
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.76
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

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 56507705
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 56507438
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71938325
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706690
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24627592
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55892303
5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 55711744
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56508477
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55755678
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56508331
5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704480

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 56507040) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is SHRROLXXXQLOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4S/c1-13-19(25-21(30-13)18-10-5-11-31-18)20(27)24-14-6-4-7-15(12-14)26-22(28)16-8-2-3-9-17(16)23(26)29/h2-12H,1H3,(H,24,27).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56507040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).