(3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C15H25N5O3 — CID 95716173

IUPAC(3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCc1noc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C15H25N5O3/c1-22-9-12-19-13(23-20-12)2-5-17-14(21)11-8-15(10-18-11)3-6-16-7-4-15/h11,16,18H,2-10H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyIGKDBQZCGWGLMF-NSHDSACASA-N
MW323.40 g/mol
LogP-0.39
Rot. Bonds6

About (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95716173) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95716173
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name(3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCc1noc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)n1
InChIInChI=1S/C15H25N5O3/c1-22-9-12-19-13(23-20-12)2-5-17-14(21)11-8-15(10-18-11)3-6-16-7-4-15/h11,16,18H,2-10H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyIGKDBQZCGWGLMF-NSHDSACASA-N
XLogP-0.39
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95716173) is (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is COCc1noc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)n1.
What is the InChIKey of (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is IGKDBQZCGWGLMF-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N5O3/c1-22-9-12-19-13(23-20-12)2-5-17-14(21)11-8-15(10-18-11)3-6-16-7-4-15/h11,16,18H,2-10H2,1H3,(H,17,21)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95716173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).