5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

C19H22N4O4 — CID 139002479

IUPAC5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOC1(c2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)CCCCC1
InChIInChI=1S/C19H22N4O4/c1-18(15(24)21-17(25)22-18)13-8-6-7-12(11-13)14-20-16(27-23-14)19(26-2)9-4-3-5-10-19/h6-8,11H,3-5,9-10H2,1-2H3,(H2,21,22,24,25)
InChIKeyDJMQZHBIHCSLLW-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.60
Rot. Bonds4

About 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 139002479) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID139002479
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOC1(c2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)CCCCC1
InChIInChI=1S/C19H22N4O4/c1-18(15(24)21-17(25)22-18)13-8-6-7-12(11-13)14-20-16(27-23-14)19(26-2)9-4-3-5-10-19/h6-8,11H,3-5,9-10H2,1-2H3,(H2,21,22,24,25)
InChIKeyDJMQZHBIHCSLLW-UHFFFAOYSA-N
XLogP2.60
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 167828481
5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 166213750
5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154838582
5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154861681
5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838574
5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 166213656
5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838563
5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154838576
3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol
CID 104986062
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
methyl 3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 91650435
5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 154870100

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 139002479) is 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is COC1(c2nc(-c3cccc(C4(C)NC(=O)NC4=O)c3)no2)CCCCC1.
What is the InChIKey of 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DJMQZHBIHCSLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-18(15(24)21-17(25)22-18)13-8-6-7-12(11-13)14-20-16(27-23-14)19(26-2)9-4-3-5-10-19/h6-8,11H,3-5,9-10H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 370.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 139002479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).