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

C20H18N4O3 — CID 28685320

IUPAC1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1Cc1noc(-c2ccccc2N2CCC(=O)NC2=O)n1
InChIInChI=1S/C20H18N4O3/c1-13-6-2-3-7-14(13)12-17-21-19(27-23-17)15-8-4-5-9-16(15)24-11-10-18(25)22-20(24)26/h2-9H,10-12H2,1H3,(H,22,25,26)
InChIKeyOPGHLPHQUWCAIJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.08
Rot. Bonds4

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

1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 28685320) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID28685320
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccccc1Cc1noc(-c2ccccc2N2CCC(=O)NC2=O)n1
InChIInChI=1S/C20H18N4O3/c1-13-6-2-3-7-14(13)12-17-21-19(27-23-17)15-8-4-5-9-16(15)24-11-10-18(25)22-20(24)26/h2-9H,10-12H2,1H3,(H,22,25,26)
InChIKeyOPGHLPHQUWCAIJ-UHFFFAOYSA-N
XLogP3.08
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
CID 97434097
4-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 63654384
3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811636
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991715
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156858667
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742960
N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 154834393
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855
3-fluoro-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136789900
3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 63771150

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione (CID 28685320) is 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione is Cc1ccccc1Cc1noc(-c2ccccc2N2CCC(=O)NC2=O)n1.
What is the InChIKey of 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is OPGHLPHQUWCAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-6-2-3-7-14(13)12-17-21-19(27-23-17)15-8-4-5-9-16(15)24-11-10-18(25)22-20(24)26/h2-9H,10-12H2,1H3,(H,22,25,26).
What are the key properties of 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 362.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 28685320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).