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

C25H28FN5O4 — CID 46200894

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)on1
InChIInChI=1S/C25H28FN5O4/c1-27-24(32)22-14-21(35-30-22)16-34-25(33)28-11-8-17-9-12-31(13-10-17)23-7-4-19(15-29-23)18-2-5-20(26)6-3-18/h2-7,14-15,17H,8-13,16H2,1H3,(H,27,32)(H,28,33)
InChIKeyZSRWPBJLBXXSCE-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.77
Rot. Bonds8

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

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (PubChem CID 46200894) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
PubChem CID46200894
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)on1
InChIInChI=1S/C25H28FN5O4/c1-27-24(32)22-14-21(35-30-22)16-34-25(33)28-11-8-17-9-12-31(13-10-17)23-7-4-19(15-29-23)18-2-5-20(26)6-3-18/h2-7,14-15,17H,8-13,16H2,1H3,(H,27,32)(H,28,33)
InChIKeyZSRWPBJLBXXSCE-UHFFFAOYSA-N
XLogP3.77
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate (CID 46200894) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is CNC(=O)c1cc(COC(=O)NCCC2CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
The InChIKey is ZSRWPBJLBXXSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-27-24(32)22-14-21(35-30-22)16-34-25(33)28-11-8-17-9-12-31(13-10-17)23-7-4-19(15-29-23)18-2-5-20(26)6-3-18/h2-7,14-15,17H,8-13,16H2,1H3,(H,27,32)(H,28,33).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate has a molecular weight of 481.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 46200894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).