cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

C24H26F3N5O2 — CID 42687875

IUPACcyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCCc1nc(N2CCN(C(=O)C3CCC3)CC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1
InChIInChI=1S/C24H26F3N5O2/c1-2-5-18-28-21(31-10-12-32(13-11-31)23(33)15-6-3-7-15)19-20(30-34-22(19)29-18)16-8-4-9-17(14-16)24(25,26)27/h4,8-9,14-15H,2-3,5-7,10-13H2,1H3
InChIKeySDPNIEKNIORAIC-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.70
Rot. Bonds5

About cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 42687875) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID42687875
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Namecyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCCc1nc(N2CCN(C(=O)C3CCC3)CC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1
InChIInChI=1S/C24H26F3N5O2/c1-2-5-18-28-21(31-10-12-32(13-11-31)23(33)15-6-3-7-15)19-20(30-34-22(19)29-18)16-8-4-9-17(14-16)24(25,26)27/h4,8-9,14-15H,2-3,5-7,10-13H2,1H3
InChIKeySDPNIEKNIORAIC-UHFFFAOYSA-N
XLogP4.70
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 42687875) is cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone is CCCc1nc(N2CCN(C(=O)C3CCC3)CC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1.
What is the InChIKey of cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is SDPNIEKNIORAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-2-5-18-28-21(31-10-12-32(13-11-31)23(33)15-6-3-7-15)19-20(30-34-22(19)29-18)16-8-4-9-17(14-16)24(25,26)27/h4,8-9,14-15H,2-3,5-7,10-13H2,1H3.
What are the key properties of cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone?
cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 473.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42687875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).