(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C18H22N4O3 — CID 124595151

IUPAC(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C18H22N4O3/c23-17(22-10-7-18(12-22)8-11-24-13-18)19-9-6-15-20-21-16(25-15)14-4-2-1-3-5-14/h1-5H,6-13H2,(H,19,23)/t18-/m1/s1
InChIKeyCUWCTAGYKIYLLX-GOSISDBHSA-N
MW342.40 g/mol
LogP2.10
Rot. Bonds4

About (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 124595151) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID124595151
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C18H22N4O3/c23-17(22-10-7-18(12-22)8-11-24-13-18)19-9-6-15-20-21-16(25-15)14-4-2-1-3-5-14/h1-5H,6-13H2,(H,19,23)/t18-/m1/s1
InChIKeyCUWCTAGYKIYLLX-GOSISDBHSA-N
XLogP2.10
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124592469
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide
CID 110321343
N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71868526
(5S)-5-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-thiazepane-4-carboxamide
CID 99828631
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990073
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 110320373
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71921021
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 124595151) is (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is CUWCTAGYKIYLLX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(22-10-7-18(12-22)8-11-24-13-18)19-9-6-15-20-21-16(25-15)14-4-2-1-3-5-14/h1-5H,6-13H2,(H,19,23)/t18-/m1/s1.
What are the key properties of (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 124595151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).