(2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C19H27N5O3 — CID 91924630

IUPAC(2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCCn1nccc1C(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C19H27N5O3/c1-4-24-15(5-8-20-24)18(25)23-11-14(17-22-21-16(27-17)13(2)3)19(12-23)6-9-26-10-7-19/h5,8,13-14H,4,6-7,9-12H2,1-3H3
InChIKeyJZYOPRHQENPSFF-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.45
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91924630) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID91924630
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCCn1nccc1C(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1
InChIInChI=1S/C19H27N5O3/c1-4-24-15(5-8-20-24)18(25)23-11-14(17-22-21-16(27-17)13(2)3)19(12-23)6-9-26-10-7-19/h5,8,13-14H,4,6-7,9-12H2,1-3H3
InChIKeyJZYOPRHQENPSFF-UHFFFAOYSA-N
XLogP2.45
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91924630) is (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is CCn1nccc1C(=O)N1CC(c2nnc(C(C)C)o2)C2(CCOCC2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is JZYOPRHQENPSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-24-15(5-8-20-24)18(25)23-11-14(17-22-21-16(27-17)13(2)3)19(12-23)6-9-26-10-7-19/h5,8,13-14H,4,6-7,9-12H2,1-3H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91924630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).