4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide

C19H20N4O5 — CID 72885713

IUPAC4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(N3CC(=O)NC3=O)cc2)on1
InChIInChI=1S/C19H20N4O5/c1-11-6-15(28-22-11)7-13-9-27-10-16(13)20-18(25)12-2-4-14(5-3-12)23-8-17(24)21-19(23)26/h2-6,13,16H,7-10H2,1H3,(H,20,25)(H,21,24,26)/t13-,16+/m1/s1
InChIKeyYJXPBIVPQGDLPP-CJNGLKHVSA-N
MW384.39 g/mol
LogP1.03
Rot. Bonds5

About 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide

4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide (PubChem CID 72885713) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
PubChem CID72885713
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(N3CC(=O)NC3=O)cc2)on1
InChIInChI=1S/C19H20N4O5/c1-11-6-15(28-22-11)7-13-9-27-10-16(13)20-18(25)12-2-4-14(5-3-12)23-8-17(24)21-19(23)26/h2-6,13,16H,7-10H2,1H3,(H,20,25)(H,21,24,26)/t13-,16+/m1/s1
InChIKeyYJXPBIVPQGDLPP-CJNGLKHVSA-N
XLogP1.03
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
The IUPAC name of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide (CID 72885713) is 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide.
What is the SMILES notation for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
The canonical SMILES for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(N3CC(=O)NC3=O)cc2)on1.
What is the InChIKey of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
The InChIKey is YJXPBIVPQGDLPP-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-11-6-15(28-22-11)7-13-9-27-10-16(13)20-18(25)12-2-4-14(5-3-12)23-8-17(24)21-19(23)26/h2-6,13,16H,7-10H2,1H3,(H,20,25)(H,21,24,26)/t13-,16+/m1/s1.
What are the key properties of 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide?
4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide has a molecular weight of 384.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide is sourced from PubChem (CID 72885713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).