N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C22H22FN5O3 — CID 91912516

IUPACN-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H22FN5O3/c23-17-3-1-2-4-18(17)25-21(29)28-13-16(22(14-28)7-11-30-12-8-22)20-27-26-19(31-20)15-5-9-24-10-6-15/h1-6,9-10,16H,7-8,11-14H2,(H,25,29)
InChIKeyPNCQPKKFFVQNAN-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.70
Rot. Bonds3

About N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 91912516) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID91912516
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC NameN-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C22H22FN5O3/c23-17-3-1-2-4-18(17)25-21(29)28-13-16(22(14-28)7-11-30-12-8-22)20-27-26-19(31-20)15-5-9-24-10-6-15/h1-6,9-10,16H,7-8,11-14H2,(H,25,29)
InChIKeyPNCQPKKFFVQNAN-UHFFFAOYSA-N
XLogP3.70
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 91912516) is N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(Nc1ccccc1F)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is PNCQPKKFFVQNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c23-17-3-1-2-4-18(17)25-21(29)28-13-16(22(14-28)7-11-30-12-8-22)20-27-26-19(31-20)15-5-9-24-10-6-15/h1-6,9-10,16H,7-8,11-14H2,(H,25,29).
What are the key properties of N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 91912516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).