[4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

C26H26FN5O2 — CID 46076323

IUPAC[4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCCCc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C26H26FN5O2/c1-2-3-9-21-28-24(22-23(30-34-25(22)29-21)18-7-5-4-6-8-18)31-14-16-32(17-15-31)26(33)19-10-12-20(27)13-11-19/h4-8,10-13H,2-3,9,14-17H2,1H3
InChIKeyWOMYCVJNBSMCHD-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.73
Rot. Bonds6

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

[4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 46076323) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID46076323
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name[4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCCCc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C26H26FN5O2/c1-2-3-9-21-28-24(22-23(30-34-25(22)29-21)18-7-5-4-6-8-18)31-14-16-32(17-15-31)26(33)19-10-12-20(27)13-11-19/h4-8,10-13H,2-3,9,14-17H2,1H3
InChIKeyWOMYCVJNBSMCHD-UHFFFAOYSA-N
XLogP4.73
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 46076323) is [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is CCCCc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is WOMYCVJNBSMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-2-3-9-21-28-24(22-23(30-34-25(22)29-21)18-7-5-4-6-8-18)31-14-16-32(17-15-31)26(33)19-10-12-20(27)13-11-19/h4-8,10-13H,2-3,9,14-17H2,1H3.
What are the key properties of [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 459.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46076323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).