N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C17H23N5O4 — CID 131696832

IUPACN-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCc1noc(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)n1
InChIInChI=1S/C17H23N5O4/c1-11-18-14(25-20-11)9-15(23)22-7-5-17(6-8-22)10-13(21-26-17)16(24)19-12-3-2-4-12/h12H,2-10H2,1H3,(H,19,24)
InChIKeyJQHJMBYVCOWFDX-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.73
Rot. Bonds4

About N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131696832) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131696832
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCc1noc(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)n1
InChIInChI=1S/C17H23N5O4/c1-11-18-14(25-20-11)9-15(23)22-7-5-17(6-8-22)10-13(21-26-17)16(24)19-12-3-2-4-12/h12H,2-10H2,1H3,(H,19,24)
InChIKeyJQHJMBYVCOWFDX-UHFFFAOYSA-N
XLogP0.73
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131696832) is N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is Cc1noc(CC(=O)N2CCC3(CC2)CC(C(=O)NC2CCC2)=NO3)n1.
What is the InChIKey of N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is JQHJMBYVCOWFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-11-18-14(25-20-11)9-15(23)22-7-5-17(6-8-22)10-13(21-26-17)16(24)19-12-3-2-4-12/h12H,2-10H2,1H3,(H,19,24).
What are the key properties of N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131696832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).