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

C19H20F3N5O — CID 46076299

IUPAC4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCNCC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1
InChIInChI=1S/C19H20F3N5O/c1-2-4-14-24-17(27-9-7-23-8-10-27)15-16(26-28-18(15)25-14)12-5-3-6-13(11-12)19(20,21)22/h3,5-6,11,23H,2,4,7-10H2,1H3
InChIKeyJVLCAXHIOMUCAX-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.67
Rot. Bonds4

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

4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 46076299) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID46076299
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CCNCC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1
InChIInChI=1S/C19H20F3N5O/c1-2-4-14-24-17(27-9-7-23-8-10-27)15-16(26-28-18(15)25-14)12-5-3-6-13(11-12)19(20,21)22/h3,5-6,11,23H,2,4,7-10H2,1H3
InChIKeyJVLCAXHIOMUCAX-UHFFFAOYSA-N
XLogP3.67
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine (CID 46076299) is 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine is CCCc1nc(N2CCNCC2)c2c(-c3cccc(C(F)(F)F)c3)noc2n1.
What is the InChIKey of 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is JVLCAXHIOMUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-2-4-14-24-17(27-9-7-23-8-10-27)15-16(26-28-18(15)25-14)12-5-3-6-13(11-12)19(20,21)22/h3,5-6,11,23H,2,4,7-10H2,1H3.
What are the key properties of 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine?
4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 391.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 46076299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).