N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide

C16H15N3O4 — CID 2953834

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O
InChIInChI=1S/C16H15N3O4/c1-3-6-19-15(21)11-5-4-10(8-12(11)16(19)22)14(20)17-13-7-9(2)23-18-13/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,20)
InChIKeyVFDSMSRLNVUIHD-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.24
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide (PubChem CID 2953834) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
PubChem CID2953834
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
SMILESCCCN1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O
InChIInChI=1S/C16H15N3O4/c1-3-6-19-15(21)11-5-4-10(8-12(11)16(19)22)14(20)17-13-7-9(2)23-18-13/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,20)
InChIKeyVFDSMSRLNVUIHD-UHFFFAOYSA-N
XLogP2.24
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 46645652
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
CID 2995585
N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 17171775
N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 29260316
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489583
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
2-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 62167570
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide (CID 2953834) is N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide is CCCN1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
The InChIKey is VFDSMSRLNVUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-3-6-19-15(21)11-5-4-10(8-12(11)16(19)22)14(20)17-13-7-9(2)23-18-13/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide is sourced from PubChem (CID 2953834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).