1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

C13H12N4O4 — CID 87022799

IUPAC1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C13H12N4O4/c18-11-7-16(8-3-4-8)13(19)17(11)6-10-14-12(15-21-10)9-2-1-5-20-9/h1-2,5,8H,3-4,6-7H2
InChIKeyZKUQAJNETGKWDN-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.26
Rot. Bonds4

About 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 87022799) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID87022799
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(C2CC2)C(=O)N1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C13H12N4O4/c18-11-7-16(8-3-4-8)13(19)17(11)6-10-14-12(15-21-10)9-2-1-5-20-9/h1-2,5,8H,3-4,6-7H2
InChIKeyZKUQAJNETGKWDN-UHFFFAOYSA-N
XLogP1.26
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 71942995
(6S,10R)-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25482818
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 37264714
5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154148
3-benzyl-1-cyclopropylimidazolidine-2,4-dione
CID 87022344
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154142
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 87022799) is 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is O=C1CN(C2CC2)C(=O)N1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is ZKUQAJNETGKWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c18-11-7-16(8-3-4-8)13(19)17(11)6-10-14-12(15-21-10)9-2-1-5-20-9/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 288.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 87022799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).