2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide

C16H18N4O4 — CID 72881141

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide
SMILESCc1ccc2nc(CCCNC(=O)CN3C(=O)CNC3=O)oc2c1
InChIInChI=1S/C16H18N4O4/c1-10-4-5-11-12(7-10)24-14(19-11)3-2-6-17-13(21)9-20-15(22)8-18-16(20)23/h4-5,7H,2-3,6,8-9H2,1H3,(H,17,21)(H,18,23)
InChIKeyHMVUBTMHNDTREM-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.74
Rot. Bonds6

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide (PubChem CID 72881141) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide
PubChem CID72881141
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide
SMILESCc1ccc2nc(CCCNC(=O)CN3C(=O)CNC3=O)oc2c1
InChIInChI=1S/C16H18N4O4/c1-10-4-5-11-12(7-10)24-14(19-11)3-2-6-17-13(21)9-20-15(22)8-18-16(20)23/h4-5,7H,2-3,6,8-9H2,1H3,(H,17,21)(H,18,23)
InChIKeyHMVUBTMHNDTREM-UHFFFAOYSA-N
XLogP0.74
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide (CID 72881141) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide is Cc1ccc2nc(CCCNC(=O)CN3C(=O)CNC3=O)oc2c1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide?
The InChIKey is HMVUBTMHNDTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-4-5-11-12(7-10)24-14(19-11)3-2-6-17-13(21)9-20-15(22)8-18-16(20)23/h4-5,7H,2-3,6,8-9H2,1H3,(H,17,21)(H,18,23).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide is sourced from PubChem (CID 72881141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).