N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide

C14H14N4O4 — CID 99946820

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)NC1=O)NCCc1nc2ccccc2o1
InChIInChI=1S/C14H14N4O4/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h1-4,9H,5-7H2,(H,15,19)(H2,17,18,20,21)/t9-/m0/s1
InChIKeyAWAVXRUBRMCSJX-VIFPVBQESA-N
MW302.29 g/mol
LogP0.08
Rot. Bonds5

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 99946820) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID99946820
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)NC1=O)NCCc1nc2ccccc2o1
InChIInChI=1S/C14H14N4O4/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h1-4,9H,5-7H2,(H,15,19)(H2,17,18,20,21)/t9-/m0/s1
InChIKeyAWAVXRUBRMCSJX-VIFPVBQESA-N
XLogP0.08
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 99946820) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide is O=C(C[C@@H]1NC(=O)NC1=O)NCCc1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is AWAVXRUBRMCSJX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4O4/c19-11(7-9-13(20)18-14(21)17-9)15-6-5-12-16-8-3-1-2-4-10(8)22-12/h1-4,9H,5-7H2,(H,15,19)(H2,17,18,20,21)/t9-/m0/s1.
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 302.29 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 99946820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).