(5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H21N5O3 — CID 95708901

IUPAC(5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(-c2nnc(CN3CCC[C@@]4(CNC(=O)O4)C3)o2)n1C
InChIInChI=1S/C16H21N5O3/c1-11-4-5-12(20(11)2)14-19-18-13(23-14)8-21-7-3-6-16(10-21)9-17-15(22)24-16/h4-5H,3,6-10H2,1-2H3,(H,17,22)/t16-/m1/s1
InChIKeyNOALFANCVSLVOG-MRXNPFEDSA-N
MW331.38 g/mol
LogP1.46
Rot. Bonds3

About (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95708901) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95708901
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(-c2nnc(CN3CCC[C@@]4(CNC(=O)O4)C3)o2)n1C
InChIInChI=1S/C16H21N5O3/c1-11-4-5-12(20(11)2)14-19-18-13(23-14)8-21-7-3-6-16(10-21)9-17-15(22)24-16/h4-5H,3,6-10H2,1-2H3,(H,17,22)/t16-/m1/s1
InChIKeyNOALFANCVSLVOG-MRXNPFEDSA-N
XLogP1.46
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 56905225
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730107
9-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56897812
(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-phenylpiperidin-3-ol
CID 162630244
2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazole
CID 95122209
9-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 72837805
(4aS,8aR)-6-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-hydroxybutyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70732645
N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70726445
(5S)-7-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97130544
2-[(5S)-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95715417
9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 163319605
2-(1,5-dimethylpyrrol-2-yl)-5-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 70704685

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95708901) is (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1ccc(-c2nnc(CN3CCC[C@@]4(CNC(=O)O4)C3)o2)n1C.
What is the InChIKey of (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is NOALFANCVSLVOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-4-5-12(20(11)2)14-19-18-13(23-14)8-21-7-3-6-16(10-21)9-17-15(22)24-16/h4-5H,3,6-10H2,1-2H3,(H,17,22)/t16-/m1/s1.
What are the key properties of (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 331.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95708901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).