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

C18H20N4O3 — CID 125137803

IUPAC(5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(-c3noc(CC4CCCC4)n3)cc2)NC(=O)NC1=O
InChIInChI=1S/C18H20N4O3/c1-18(16(23)20-17(24)21-18)13-8-6-12(7-9-13)15-19-14(25-22-15)10-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H2,20,21,23,24)/t18-/m1/s1
InChIKeyXILKKQHNGFTUPO-GOSISDBHSA-N
MW340.38 g/mol
LogP2.52
Rot. Bonds4

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

(5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 125137803) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID125137803
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(-c3noc(CC4CCCC4)n3)cc2)NC(=O)NC1=O
InChIInChI=1S/C18H20N4O3/c1-18(16(23)20-17(24)21-18)13-8-6-12(7-9-13)15-19-14(25-22-15)10-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H2,20,21,23,24)/t18-/m1/s1
InChIKeyXILKKQHNGFTUPO-GOSISDBHSA-N
XLogP2.52
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
CID 165054074
5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154837911
5-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 120859710
5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
5-[4-[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 167840439
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-(azetidin-3-ylmethyl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 106847359
4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 177135048
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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 125137803) is (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(-c3noc(CC4CCCC4)n3)cc2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is XILKKQHNGFTUPO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-18(16(23)20-17(24)21-18)13-8-6-12(7-9-13)15-19-14(25-22-15)10-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H2,20,21,23,24)/t18-/m1/s1.
What are the key properties of (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 125137803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).