(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

C19H17N3O3S — CID 41075128

IUPAC(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-12-5-7-13(8-6-12)19(2)17(23)22(18(24)21-19)10-14-11-25-16(20-14)15-4-3-9-26-15/h3-9,11H,10H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyFFTHXIMLCRZTRF-IBGZPJMESA-N
MW367.43 g/mol
LogP3.68
Rot. Bonds4

About (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 41075128) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID41075128
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-12-5-7-13(8-6-12)19(2)17(23)22(18(24)21-19)10-14-11-25-16(20-14)15-4-3-9-26-15/h3-9,11H,10H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyFFTHXIMLCRZTRF-IBGZPJMESA-N
XLogP3.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-(4-nitrophenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 78766976
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112787633
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 8891641
5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112787610
(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
5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 42946045
5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 24618777
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 46604342
(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 96528280
(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
(3aR,7aR)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98366131

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (CID 41075128) is (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1.
What is the InChIKey of (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is FFTHXIMLCRZTRF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-5-7-13(8-6-12)19(2)17(23)22(18(24)21-19)10-14-11-25-16(20-14)15-4-3-9-26-15/h3-9,11H,10H2,1-2H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41075128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).