9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C19H24N4O4 — CID 137335339

IUPAC9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCCCOc1ccccc1-c1nnc(N2CCCC3(CC2)CNC(=O)O3)o1
InChIInChI=1S/C19H24N4O4/c1-2-12-25-15-7-4-3-6-14(15)16-21-22-17(26-16)23-10-5-8-19(9-11-23)13-20-18(24)27-19/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,24)
InChIKeyUPOPJQKUCACBGA-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.99
Rot. Bonds5

About 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 137335339) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID137335339
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCCCOc1ccccc1-c1nnc(N2CCCC3(CC2)CNC(=O)O3)o1
InChIInChI=1S/C19H24N4O4/c1-2-12-25-15-7-4-3-6-14(15)16-21-22-17(26-16)23-10-5-8-19(9-11-23)13-20-18(24)27-19/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,24)
InChIKeyUPOPJQKUCACBGA-UHFFFAOYSA-N
XLogP2.99
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 137335339) is 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is CCCOc1ccccc1-c1nnc(N2CCCC3(CC2)CNC(=O)O3)o1.
What is the InChIKey of 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is UPOPJQKUCACBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-12-25-15-7-4-3-6-14(15)16-21-22-17(26-16)23-10-5-8-19(9-11-23)13-20-18(24)27-19/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,24).
What are the key properties of 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 137335339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).