[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

C26H28FN5O4 — CID 46850981

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NC2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)CC3)C2)on1
InChIInChI=1S/C26H28FN5O4/c1-28-24(33)22-12-21(36-31-22)16-35-25(34)30-20-13-26(14-20)8-10-32(11-9-26)23-7-4-18(15-29-23)17-2-5-19(27)6-3-17/h2-7,12,15,20H,8-11,13-14,16H2,1H3,(H,28,33)(H,30,34)
InChIKeyWCKPCIBQSFINAX-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.91
Rot. Bonds6

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (PubChem CID 46850981) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
PubChem CID46850981
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NC2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)CC3)C2)on1
InChIInChI=1S/C26H28FN5O4/c1-28-24(33)22-12-21(36-31-22)16-35-25(34)30-20-13-26(14-20)8-10-32(11-9-26)23-7-4-18(15-29-23)17-2-5-19(27)6-3-17/h2-7,12,15,20H,8-11,13-14,16H2,1H3,(H,28,33)(H,30,34)
InChIKeyWCKPCIBQSFINAX-UHFFFAOYSA-N
XLogP3.91
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.91
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-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (CID 46850981) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is CNC(=O)c1cc(COC(=O)NC2CC3(CCN(c4ccc(-c5ccc(F)cc5)cn4)CC3)C2)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The InChIKey is WCKPCIBQSFINAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-28-24(33)22-12-21(36-31-22)16-35-25(34)30-20-13-26(14-20)8-10-32(11-9-26)23-7-4-18(15-29-23)17-2-5-19(27)6-3-17/h2-7,12,15,20H,8-11,13-14,16H2,1H3,(H,28,33)(H,30,34).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate has a molecular weight of 493.54 g/mol, XLogP of 3.91, 6 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-[7-[5-(4-fluorophenyl)-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is sourced from PubChem (CID 46850981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).