N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide

C13H9N3O4 — CID 16880187

IUPACN-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)on1
InChIInChI=1S/C13H9N3O4/c1-6-4-10(20-16-6)13(19)14-7-2-3-8-9(5-7)12(18)15-11(8)17/h2-5H,1H3,(H,14,19)(H,15,17,18)
InChIKeyQOFYDUVUWFMFOB-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.12
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 16880187) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID16880187
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)on1
InChIInChI=1S/C13H9N3O4/c1-6-4-10(20-16-6)13(19)14-7-2-3-8-9(5-7)12(18)15-11(8)17/h2-5H,1H3,(H,14,19)(H,15,17,18)
InChIKeyQOFYDUVUWFMFOB-UHFFFAOYSA-N
XLogP1.12
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
CID 26017452
5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 2232064
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 99842279
N-[4-[(2R)-1,7-dimethyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95802042
3-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 43429619
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 16880187) is N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)on1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QOFYDUVUWFMFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c1-6-4-10(20-16-6)13(19)14-7-2-3-8-9(5-7)12(18)15-11(8)17/h2-5H,1H3,(H,14,19)(H,15,17,18).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 271.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16880187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).