1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione

C16H16N4O4 — CID 97434097

IUPAC1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2-c2nc([C@H]3CCOC3)no2)C(=O)N1
InChIInChI=1S/C16H16N4O4/c21-13-5-7-20(16(22)17-13)12-4-2-1-3-11(12)15-18-14(19-24-15)10-6-8-23-9-10/h1-4,10H,5-9H2,(H,17,21,22)/t10-/m0/s1
InChIKeyWEDSYJPYDQNDRX-JTQLQIEISA-N
MW328.33 g/mol
LogP1.69
Rot. Bonds3

About 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione

1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 97434097) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID97434097
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2-c2nc([C@H]3CCOC3)no2)C(=O)N1
InChIInChI=1S/C16H16N4O4/c21-13-5-7-20(16(22)17-13)12-4-2-1-3-11(12)15-18-14(19-24-15)10-6-8-23-9-10/h1-4,10H,5-9H2,(H,17,21,22)/t10-/m0/s1
InChIKeyWEDSYJPYDQNDRX-JTQLQIEISA-N
XLogP1.69
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
CID 28685320
3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 72902790
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
CID 97446166
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 97444146
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione (CID 97434097) is 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccccc2-c2nc([C@H]3CCOC3)no2)C(=O)N1.
What is the InChIKey of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is WEDSYJPYDQNDRX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16N4O4/c21-13-5-7-20(16(22)17-13)12-4-2-1-3-11(12)15-18-14(19-24-15)10-6-8-23-9-10/h1-4,10H,5-9H2,(H,17,21,22)/t10-/m0/s1.
What are the key properties of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 328.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 97434097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).