5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C19H24N4O3 — CID 136547308

IUPAC5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1cccc2nc(C3CCN(CCN4C(=O)NC(C)C4=O)CC3)oc12
InChIInChI=1S/C19H24N4O3/c1-12-4-3-5-15-16(12)26-17(21-15)14-6-8-22(9-7-14)10-11-23-18(24)13(2)20-19(23)25/h3-5,13-14H,6-11H2,1-2H3,(H,20,25)
InChIKeyMPCQMDNCZDHOLW-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.26
Rot. Bonds4

About 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 136547308) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID136547308
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCc1cccc2nc(C3CCN(CCN4C(=O)NC(C)C4=O)CC3)oc12
InChIInChI=1S/C19H24N4O3/c1-12-4-3-5-15-16(12)26-17(21-15)14-6-8-22(9-7-14)10-11-23-18(24)13(2)20-19(23)25/h3-5,13-14H,6-11H2,1-2H3,(H,20,25)
InChIKeyMPCQMDNCZDHOLW-UHFFFAOYSA-N
XLogP2.26
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 146129813
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
2-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethanamine
CID 82167807
3-[2-(4-isoquinolin-4-ylpiperazin-1-yl)ethyl]-5-methylimidazolidine-2,4-dione
CID 146130699
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 99788818
N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 166233118
2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
(5R)-5-[4-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495170
7-methyl-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83859173
2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17395861
2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
CID 83887429
7-methyl-2-(piperidin-4-ylmethyl)-1,3-benzoxazole
CID 79608893

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 136547308) is 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is Cc1cccc2nc(C3CCN(CCN4C(=O)NC(C)C4=O)CC3)oc12.
What is the InChIKey of 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is MPCQMDNCZDHOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-4-3-5-15-16(12)26-17(21-15)14-6-8-22(9-7-14)10-11-23-18(24)13(2)20-19(23)25/h3-5,13-14H,6-11H2,1-2H3,(H,20,25).
What are the key properties of 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 136547308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).