(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione

C16H16BrN3O3 — CID 52514080

IUPAC(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)oc1C
InChIInChI=1S/C16H16BrN3O3/c1-9-10(2)23-13(18-9)8-20-14(21)16(3,19-15(20)22)11-5-4-6-12(17)7-11/h4-7H,8H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyFAEAPURPAQDEGJ-INIZCTEOSA-N
MW378.23 g/mol
LogP3.02
Rot. Bonds3

About (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 52514080) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID52514080
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC Name(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)oc1C
InChIInChI=1S/C16H16BrN3O3/c1-9-10(2)23-13(18-9)8-20-14(21)16(3,19-15(20)22)11-5-4-6-12(17)7-11/h4-7H,8H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyFAEAPURPAQDEGJ-INIZCTEOSA-N
XLogP3.02
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
(5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 42064145
(5R)-5-(3-bromophenyl)-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 92786945
(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 51931904
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7178072
(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 41190166
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 2710989

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 52514080) is (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione is Cc1nc(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)oc1C.
What is the InChIKey of (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FAEAPURPAQDEGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c1-9-10(2)23-13(18-9)8-20-14(21)16(3,19-15(20)22)11-5-4-6-12(17)7-11/h4-7H,8H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 378.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52514080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).