1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione

C20H21N3O3 — CID 155977013

IUPAC1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
SMILESCc1oc(-c2ccccc2)nc1Cn1ccn(C2CCCC2)c(=O)c1=O
InChIInChI=1S/C20H21N3O3/c1-14-17(21-18(26-14)15-7-3-2-4-8-15)13-22-11-12-23(20(25)19(22)24)16-9-5-6-10-16/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3
InChIKeyQYEHEGHUFOBCIS-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.14
Rot. Bonds4

About 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione

1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione (PubChem CID 155977013) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
PubChem CID155977013
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
SMILESCc1oc(-c2ccccc2)nc1Cn1ccn(C2CCCC2)c(=O)c1=O
InChIInChI=1S/C20H21N3O3/c1-14-17(21-18(26-14)15-7-3-2-4-8-15)13-22-11-12-23(20(25)19(22)24)16-9-5-6-10-16/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3
InChIKeyQYEHEGHUFOBCIS-UHFFFAOYSA-N
XLogP3.14
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977246
3-cyclopentyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 16611488
5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 71981264
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
N-(2-cyclopentylpyrazol-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55513122
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 18150014
8-cyclohexylsulfanyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 95919601
7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353125
(3aS,6aS)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154570959
1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623558
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione (CID 155977013) is 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione is Cc1oc(-c2ccccc2)nc1Cn1ccn(C2CCCC2)c(=O)c1=O.
What is the InChIKey of 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
The InChIKey is QYEHEGHUFOBCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-17(21-18(26-14)15-7-3-2-4-8-15)13-22-11-12-23(20(25)19(22)24)16-9-5-6-10-16/h2-4,7-8,11-12,16H,5-6,9-10,13H2,1H3.
What are the key properties of 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione?
1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione has a molecular weight of 351.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 155977013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).