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

C21H23N5O — CID 164696893

IUPAC2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)o1
InChIInChI=1S/C21H23N5O/c1-2-17-24-25-20(27-17)26-12-6-10-21(14-26)11-9-16-13-22-19(23-18(16)21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyUMIJZLQNWSNBGD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds3

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

2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole (PubChem CID 164696893) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
PubChem CID164696893
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)o1
InChIInChI=1S/C21H23N5O/c1-2-17-24-25-20(27-17)26-12-6-10-21(14-26)11-9-16-13-22-19(23-18(16)21)15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3
InChIKeyUMIJZLQNWSNBGD-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole (CID 164696893) is 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole is CCc1nnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)o1.
What is the InChIKey of 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole?
The InChIKey is UMIJZLQNWSNBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-17-24-25-20(27-17)26-12-6-10-21(14-26)11-9-16-13-22-19(23-18(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 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole?
2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-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 2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 164696893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).