tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate

C25H27FN2O3 — CID 59486870

IUPACtert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H27FN2O3/c1-25(2,3)31-24(29)28-15-13-19(14-16-28)23-27-21(17-9-11-20(26)12-10-17)22(30-23)18-7-5-4-6-8-18/h4-12,19H,13-16H2,1-3H3
InChIKeyILIRUWNTVJNGIJ-UHFFFAOYSA-N
MW422.50 g/mol
LogP6.26
Rot. Bonds3

About tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate (PubChem CID 59486870) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate
PubChem CID59486870
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Nametert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H27FN2O3/c1-25(2,3)31-24(29)28-15-13-19(14-16-28)23-27-21(17-9-11-20(26)12-10-17)22(30-23)18-7-5-4-6-8-18/h4-12,19H,13-16H2,1-3H3
InChIKeyILIRUWNTVJNGIJ-UHFFFAOYSA-N
XLogP6.26
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
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CID 155162953
N-(cyanomethyl)-N-hydroxy-4-[5-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 162554624
tert-butyl 4-[5-(4-carbamoyl-3-fluorophenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
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tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
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CID 90240395
tert-butyl 4-[5-(2,5-dichloropyrimidin-4-yl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
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4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 59486680
tert-butyl 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 15991518
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
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1-(4-fluorophenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 67976230
N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate (CID 59486870) is tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccccc3)o2)CC1.
What is the InChIKey of tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The InChIKey is ILIRUWNTVJNGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-25(2,3)31-24(29)28-15-13-19(14-16-28)23-27-21(17-9-11-20(26)12-10-17)22(30-23)18-7-5-4-6-8-18/h4-12,19H,13-16H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate has a molecular weight of 422.50 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59486870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).