2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

C23H30N4O3 — CID 99745885

IUPAC2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1CCCCC1)N1C[C@H](c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C23H30N4O3/c28-20(14-17-4-2-1-3-5-17)27-15-19(23(16-27)8-12-29-13-9-23)22-26-25-21(30-22)18-6-10-24-11-7-18/h6-7,10-11,17,19H,1-5,8-9,12-16H2/t19-/m1/s1
InChIKeyCBCQNQJOIFAWHA-LJQANCHMSA-N
MW410.52 g/mol
LogP3.82
Rot. Bonds4

About 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone

2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 99745885) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID99745885
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1CCCCC1)N1C[C@H](c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C23H30N4O3/c28-20(14-17-4-2-1-3-5-17)27-15-19(23(16-27)8-12-29-13-9-23)22-26-25-21(30-22)18-6-10-24-11-7-18/h6-7,10-11,17,19H,1-5,8-9,12-16H2/t19-/m1/s1
InChIKeyCBCQNQJOIFAWHA-LJQANCHMSA-N
XLogP3.82
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone (CID 99745885) is 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is O=C(CC1CCCCC1)N1C[C@H](c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is CBCQNQJOIFAWHA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-20(14-17-4-2-1-3-5-17)27-15-19(23(16-27)8-12-29-13-9-23)22-26-25-21(30-22)18-6-10-24-11-7-18/h6-7,10-11,17,19H,1-5,8-9,12-16H2/t19-/m1/s1.
What are the key properties of 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone?
2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 410.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(4R)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 99745885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).