(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

C24H31N5O4 — CID 42472635

IUPAC(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ncoc1C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1
InChIInChI=1S/C24H31N5O4/c1-16(2)7-10-24(22(31)29(23(32)27-24)14-19-6-4-5-11-25-19)18-8-12-28(13-9-18)21(30)20-17(3)26-15-33-20/h4-6,11,15-16,18H,7-10,12-14H2,1-3H3,(H,27,32)/t24-/m0/s1
InChIKeyUTKQNVXVVRLDSL-DEOSSOPVSA-N
MW453.54 g/mol
LogP3.16
Rot. Bonds7

About (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42472635) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID42472635
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ncoc1C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1
InChIInChI=1S/C24H31N5O4/c1-16(2)7-10-24(22(31)29(23(32)27-24)14-19-6-4-5-11-25-19)18-8-12-28(13-9-18)21(30)20-17(3)26-15-33-20/h4-6,11,15-16,18H,7-10,12-14H2,1-3H3,(H,27,32)/t24-/m0/s1
InChIKeyUTKQNVXVVRLDSL-DEOSSOPVSA-N
XLogP3.16
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 42472635) is (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is Cc1ncoc1C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1.
What is the InChIKey of (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is UTKQNVXVVRLDSL-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-16(2)7-10-24(22(31)29(23(32)27-24)14-19-6-4-5-11-25-19)18-8-12-28(13-9-18)21(30)20-17(3)26-15-33-20/h4-6,11,15-16,18H,7-10,12-14H2,1-3H3,(H,27,32)/t24-/m0/s1.
What are the key properties of (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 453.54 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42472635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).