[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

C20H26N4O2 — CID 163312518

IUPAC[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3cc(CC(C)C)on3)C1)CC2
InChIInChI=1S/C20H26N4O2/c1-13(2)9-16-10-17(23-26-16)19(25)24-8-4-6-20(12-24)7-5-15-11-21-14(3)22-18(15)20/h10-11,13H,4-9,12H2,1-3H3
InChIKeyCSNGKLFKQHKJDH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.09
Rot. Bonds3

About [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (PubChem CID 163312518) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
PubChem CID163312518
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3cc(CC(C)C)on3)C1)CC2
InChIInChI=1S/C20H26N4O2/c1-13(2)9-16-10-17(23-26-16)19(25)24-8-4-6-20(12-24)7-5-15-11-21-14(3)22-18(15)20/h10-11,13H,4-9,12H2,1-3H3
InChIKeyCSNGKLFKQHKJDH-UHFFFAOYSA-N
XLogP3.09
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The IUPAC name of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (CID 163312518) is [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is Cc1ncc2c(n1)C1(CCCN(C(=O)c3cc(CC(C)C)on3)C1)CC2.
What is the InChIKey of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The InChIKey is CSNGKLFKQHKJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)9-16-10-17(23-26-16)19(25)24-8-4-6-20(12-24)7-5-15-11-21-14(3)22-18(15)20/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
[5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1,2-oxazol-3-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 163312518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).