5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole

C21H23N5O — CID 135109701

IUPAC5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole
SMILESCCc1nc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)no1
InChIInChI=1S/C21H23N5O/c1-2-17-23-20(25-27-17)26-12-6-10-21(14-26)11-9-16-13-22-19(24-18(16)21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyNUTABJNUFFVSNL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds3

About 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole

5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole (PubChem CID 135109701) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole
PubChem CID135109701
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole
SMILESCCc1nc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)no1
InChIInChI=1S/C21H23N5O/c1-2-17-23-20(25-27-17)26-12-6-10-21(14-26)11-9-16-13-22-19(24-18(16)21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyNUTABJNUFFVSNL-UHFFFAOYSA-N
XLogP3.57
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

1'-(5-ethylpyrimidin-2-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135104197
2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
CID 164696893
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135087221
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
N,N-dimethyl-1'-(5-methyl-1,2,4-oxadiazol-3-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 163319351
1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135089616
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 135120145
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135105379
2-amino-2-methyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one
CID 135098790
2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide
CID 135096925

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole (CID 135109701) is 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole is CCc1nc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)no1.
What is the InChIKey of 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole?
The InChIKey is NUTABJNUFFVSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-17-23-20(25-27-17)26-12-6-10-21(14-26)11-9-16-13-22-19(24-18(16)21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3.
What are the key properties of 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole?
5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole has a molecular weight of 361.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 135109701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).