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

C15H16N4O3 — CID 96521180

IUPAC(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCCc1cnc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)o1
InChIInChI=1S/C15H16N4O3/c1-3-10-8-17-12(22-10)9-19-13(20)15(2,18-14(19)21)11-6-4-5-7-16-11/h4-8H,3,9H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyCNJPOHGAUKRQPW-HNNXBMFYSA-N
MW300.32 g/mol
LogP1.60
Rot. Bonds4

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

(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 96521180) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID96521180
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCCc1cnc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)o1
InChIInChI=1S/C15H16N4O3/c1-3-10-8-17-12(22-10)9-19-13(20)15(2,18-14(19)21)11-6-4-5-7-16-11/h4-8H,3,9H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyCNJPOHGAUKRQPW-HNNXBMFYSA-N
XLogP1.60
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.60
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

(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 71914279
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 97021801
2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 95309776
(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 129433533
N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56506442

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (CID 96521180) is (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is CCc1cnc(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)o1.
What is the InChIKey of (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is CNJPOHGAUKRQPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-10-8-17-12(22-10)9-19-13(20)15(2,18-14(19)21)11-6-4-5-7-16-11/h4-8H,3,9H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 300.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 96521180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).