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

C16H15N3O4 — CID 110660366

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C16H15N3O4/c1-10-8-18-14(23-10)9-17-13(20)6-7-19-15(21)11-4-2-3-5-12(11)16(19)22/h2-5,8H,6-7,9H2,1H3,(H,17,20)
InChIKeyIKVNNFUSNKBZTL-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.29
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 110660366) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID110660366
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)o1
InChIInChI=1S/C16H15N3O4/c1-10-8-18-14(23-10)9-17-13(20)6-7-19-15(21)11-4-2-3-5-12(11)16(19)22/h2-5,8H,6-7,9H2,1H3,(H,17,20)
InChIKeyIKVNNFUSNKBZTL-UHFFFAOYSA-N
XLogP1.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.29
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

3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)propanamide
CID 110660397
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
3-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346171
N-[(5-chlorofuran-2-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110731979
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]propanamide
CID 110666502
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604
3-(1,3-dioxoisoindol-2-yl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730354

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (CID 110660366) is 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)o1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is IKVNNFUSNKBZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-8-18-14(23-10)9-17-13(20)6-7-19-15(21)11-4-2-3-5-12(11)16(19)22/h2-5,8H,6-7,9H2,1H3,(H,17,20).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 313.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110660366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).