5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C16H23N5O3 — CID 72855347

IUPAC5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CN2CCC3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C16H23N5O3/c17-13(22)14-18-12(24-19-14)9-20-7-5-16(10-20)4-1-6-21(15(16)23)8-11-2-3-11/h11H,1-10H2,(H2,17,22)
InChIKeyKMQDFAJWHCFJPH-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.39
Rot. Bonds5

About 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72855347) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID72855347
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CN2CCC3(CCCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C16H23N5O3/c17-13(22)14-18-12(24-19-14)9-20-7-5-16(10-20)4-1-6-21(15(16)23)8-11-2-3-11/h11H,1-10H2,(H2,17,22)
InChIKeyKMQDFAJWHCFJPH-UHFFFAOYSA-N
XLogP0.39
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97129127
5-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 97148508
(5S)-7-(cyclobutylmethyl)-2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97141091
(5R)-7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97142207
(5R)-7-(cyclopropylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26318692
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
7-(2-hydroxyethyl)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 86285913

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 72855347) is 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(CN2CCC3(CCCN(CC4CC4)C3=O)C2)n1.
What is the InChIKey of 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KMQDFAJWHCFJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c17-13(22)14-18-12(24-19-14)9-20-7-5-16(10-20)4-1-6-21(15(16)23)8-11-2-3-11/h11H,1-10H2,(H2,17,22).
What are the key properties of 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72855347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).