3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide

C15H15N5O4 — CID 97147563

IUPAC3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5O4/c21-12(7-6-10-13(22)19-15(23)17-10)16-8-11-18-14(24-20-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,21)(H2,17,19,22,23)/t10-/m0/s1
InChIKeyFNEJVVNBMUPQPS-JTQLQIEISA-N
MW329.32 g/mol
LogP0.34
Rot. Bonds6

About 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide

3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (PubChem CID 97147563) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
PubChem CID97147563
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5O4/c21-12(7-6-10-13(22)19-15(23)17-10)16-8-11-18-14(24-20-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,21)(H2,17,19,22,23)/t10-/m0/s1
InChIKeyFNEJVVNBMUPQPS-JTQLQIEISA-N
XLogP0.34
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77082164
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70780601
N'-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 51546504
2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
CID 97128970
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 97130347
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110206479
N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
4,4,4-trifluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 53098243
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide (CID 97147563) is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)NCc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is FNEJVVNBMUPQPS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N5O4/c21-12(7-6-10-13(22)19-15(23)17-10)16-8-11-18-14(24-20-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,21)(H2,17,19,22,23)/t10-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide?
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 329.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 97147563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).