(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione

C16H17N3O4 — CID 95166190

IUPAC(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O
InChIInChI=1S/C16H17N3O4/c1-16(10-22-2)14(20)19(15(21)17-16)9-12-8-13(18-23-12)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,17,21)/t16-/m1/s1
InChIKeyNPTKFBABXYVGQS-MRXNPFEDSA-N
MW315.33 g/mol
LogP1.80
Rot. Bonds5

About (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 95166190) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID95166190
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O
InChIInChI=1S/C16H17N3O4/c1-16(10-22-2)14(20)19(15(21)17-16)9-12-8-13(18-23-12)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,17,21)/t16-/m1/s1
InChIKeyNPTKFBABXYVGQS-MRXNPFEDSA-N
XLogP1.80
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione (CID 95166190) is (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione is COC[C@@]1(C)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O.
What is the InChIKey of (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is NPTKFBABXYVGQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-16(10-22-2)14(20)19(15(21)17-16)9-12-8-13(18-23-12)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,17,21)/t16-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 315.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95166190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).