[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate

C26H29FN4O4 — CID 66660874

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cc3)CC2)on1
InChIInChI=1S/C26H29FN4O4/c1-28-25(32)24-16-23(35-30-24)17-34-26(33)29-13-10-18-11-14-31(15-12-18)22-8-4-20(5-9-22)19-2-6-21(27)7-3-19/h2-9,16,18H,10-15,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyWHWCNBZFIAPERX-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.37
Rot. Bonds8

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 66660874) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate
PubChem CID66660874
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cc3)CC2)on1
InChIInChI=1S/C26H29FN4O4/c1-28-25(32)24-16-23(35-30-24)17-34-26(33)29-13-10-18-11-14-31(15-12-18)22-8-4-20(5-9-22)19-2-6-21(27)7-3-19/h2-9,16,18H,10-15,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyWHWCNBZFIAPERX-UHFFFAOYSA-N
XLogP4.37
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate (CID 66660874) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate is CNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cc3)CC2)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is WHWCNBZFIAPERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-28-25(32)24-16-23(35-30-24)17-34-26(33)29-13-10-18-11-14-31(15-12-18)22-8-4-20(5-9-22)19-2-6-21(27)7-3-19/h2-9,16,18H,10-15,17H2,1H3,(H,28,32)(H,29,33).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 480.54 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 66660874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).