2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

C19H21N3O4 — CID 87043310

IUPAC2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCc3nc(C)c(C)o3)cc2C1=O
InChIInChI=1S/C19H21N3O4/c1-4-5-8-22-18(24)14-7-6-13(9-15(14)19(22)25)17(23)20-10-16-21-11(2)12(3)26-16/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyGLRVOVCEEIXUIF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.62
Rot. Bonds6

About 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 87043310) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID87043310
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)NCc3nc(C)c(C)o3)cc2C1=O
InChIInChI=1S/C19H21N3O4/c1-4-5-8-22-18(24)14-7-6-13(9-15(14)19(22)25)17(23)20-10-16-21-11(2)12(3)26-16/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyGLRVOVCEEIXUIF-UHFFFAOYSA-N
XLogP2.62
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.62
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

2-butyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24552864
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-1,3-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]isoindole-5-carboxamide
CID 27863996
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9480685
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-methylguanidine
CID 109430145
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 87043310) is 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)NCc3nc(C)c(C)o3)cc2C1=O.
What is the InChIKey of 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is GLRVOVCEEIXUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-5-8-22-18(24)14-7-6-13(9-15(14)19(22)25)17(23)20-10-16-21-11(2)12(3)26-16/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,23).
What are the key properties of 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 87043310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).