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

C23H26N4O — CID 135092969

IUPAC3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole
SMILESCCc1cc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)on1
InChIInChI=1S/C23H26N4O/c1-2-19-13-20(28-26-19)15-27-12-6-10-23(16-27)11-9-18-14-24-22(25-21(18)23)17-7-4-3-5-8-17/h3-5,7-8,13-14H,2,6,9-12,15-16H2,1H3
InChIKeyGKRKTTMNBBBPLZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.17
Rot. Bonds4

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

3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole (PubChem CID 135092969) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole
PubChem CID135092969
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole
SMILESCCc1cc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)on1
InChIInChI=1S/C23H26N4O/c1-2-19-13-20(28-26-19)15-27-12-6-10-23(16-27)11-9-18-14-24-22(25-21(18)23)17-7-4-3-5-8-17/h3-5,7-8,13-14H,2,6,9-12,15-16H2,1H3
InChIKeyGKRKTTMNBBBPLZ-UHFFFAOYSA-N
XLogP4.17
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole (CID 135092969) is 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole is CCc1cc(CN2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)on1.
What is the InChIKey of 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole?
The InChIKey is GKRKTTMNBBBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-19-13-20(28-26-19)15-27-12-6-10-23(16-27)11-9-18-14-24-22(25-21(18)23)17-7-4-3-5-8-17/h3-5,7-8,13-14H,2,6,9-12,15-16H2,1H3.
What are the key properties of 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole?
3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole has a molecular weight of 374.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 135092969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).