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

C16H15N3O5 — CID 126829801

IUPAC5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ncoc1CN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C16H15N3O5/c1-9-13(22-7-17-9)6-19-14(20)16(2,18-15(19)21)10-3-4-11-12(5-10)24-8-23-11/h3-5,7H,6,8H2,1-2H3,(H,18,21)
InChIKeyKVSABKAGJHNIDC-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.68
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 126829801) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID126829801
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ncoc1CN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C16H15N3O5/c1-9-13(22-7-17-9)6-19-14(20)16(2,18-15(19)21)10-3-4-11-12(5-10)24-8-23-11/h3-5,7H,6,8H2,1-2H3,(H,18,21)
InChIKeyKVSABKAGJHNIDC-UHFFFAOYSA-N
XLogP1.68
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 25437321
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7691995
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 17397810
4-[[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7692013
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 95301085
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7692011

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione (CID 126829801) is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione is Cc1ncoc1CN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is KVSABKAGJHNIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-9-13(22-7-17-9)6-19-14(20)16(2,18-15(19)21)10-3-4-11-12(5-10)24-8-23-11/h3-5,7H,6,8H2,1-2H3,(H,18,21).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 329.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126829801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).