(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C24H28N4O4 — CID 42382085

IUPAC(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1C(=O)N1CCC([C@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1
InChIInChI=1S/C24H28N4O4/c1-14-20(15(2)32-26-14)21(29)27-10-8-18(9-11-27)24(3)22(30)28(23(31)25-24)19-12-16-6-4-5-7-17(16)13-19/h4-7,18-19H,8-13H2,1-3H3,(H,25,31)/t24-/m0/s1
InChIKeyUFNJTHNHGZPFSS-DEOSSOPVSA-N
MW436.51 g/mol
LogP2.62
Rot. Bonds3

About (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 42382085) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID42382085
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1C(=O)N1CCC([C@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1
InChIInChI=1S/C24H28N4O4/c1-14-20(15(2)32-26-14)21(29)27-10-8-18(9-11-27)24(3)22(30)28(23(31)25-24)19-12-16-6-4-5-7-17(16)13-19/h4-7,18-19H,8-13H2,1-3H3,(H,25,31)/t24-/m0/s1
InChIKeyUFNJTHNHGZPFSS-DEOSSOPVSA-N
XLogP2.62
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 42382085) is (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is Cc1noc(C)c1C(=O)N1CCC([C@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1.
What is the InChIKey of (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UFNJTHNHGZPFSS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14-20(15(2)32-26-14)21(29)27-10-8-18(9-11-27)24(3)22(30)28(23(31)25-24)19-12-16-6-4-5-7-17(16)13-19/h4-7,18-19H,8-13H2,1-3H3,(H,25,31)/t24-/m0/s1.
What are the key properties of (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 436.51 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42382085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).