(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione

C20H18N4O4 — CID 96528280

IUPAC(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccnc4)C3=O)co2)cc1
InChIInChI=1S/C20H18N4O4/c1-20(14-4-3-9-21-10-14)18(25)24(19(26)23-20)11-15-12-28-17(22-15)13-5-7-16(27-2)8-6-13/h3-10,12H,11H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyUZJQDXXOIMSCOW-HXUWFJFHSA-N
MW378.39 g/mol
LogP2.71
Rot. Bonds5

About (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione

(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 96528280) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID96528280
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccnc4)C3=O)co2)cc1
InChIInChI=1S/C20H18N4O4/c1-20(14-4-3-9-21-10-14)18(25)24(19(26)23-20)11-15-12-28-17(22-15)13-5-7-16(27-2)8-6-13/h3-10,12H,11H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyUZJQDXXOIMSCOW-HXUWFJFHSA-N
XLogP2.71
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
CID 18275324
8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18207948
5,5-diphenyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 29336701
(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41075128
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46582960
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112787633
2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120755807
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519095
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 47094602
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41023001

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione (CID 96528280) is (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione is COc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccnc4)C3=O)co2)cc1.
What is the InChIKey of (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is UZJQDXXOIMSCOW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-20(14-4-3-9-21-10-14)18(25)24(19(26)23-20)11-15-12-28-17(22-15)13-5-7-16(27-2)8-6-13/h3-10,12H,11H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione?
(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 378.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 96528280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).