(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C18H23N3O2S — CID 97471799

IUPAC(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1noc(C)c1CN1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C18H23N3O2S/c1-12-8-20(9-16-13(2)19-23-14(16)3)11-18(12)5-6-21(17(18)22)15-4-7-24-10-15/h4,7,10,12H,5-6,8-9,11H2,1-3H3/t12-,18-/m1/s1
InChIKeyFOOVQNJBYUTZRJ-KZULUSFZSA-N
MW345.47 g/mol
LogP3.23
Rot. Bonds3

About (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471799) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471799
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1noc(C)c1CN1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C18H23N3O2S/c1-12-8-20(9-16-13(2)19-23-14(16)3)11-18(12)5-6-21(17(18)22)15-4-7-24-10-15/h4,7,10,12H,5-6,8-9,11H2,1-3H3/t12-,18-/m1/s1
InChIKeyFOOVQNJBYUTZRJ-KZULUSFZSA-N
XLogP3.23
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

(5S,9S)-9-methyl-7-(oxane-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471836
(2R,3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxo-2-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 95332145
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 56816308
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131680105
2-(1,3-benzodioxol-5-yl)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97472986
N,N-dimethyl-2-[(9S)-9-methyl-1-oxo-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155848487
3,5-dimethyl-4-[[(3R)-3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 124737120
(2S,6R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97320853
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
3,5-dimethyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 56787269
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275792
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2-oxazole
CID 97385375

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 97471799) is (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is Cc1noc(C)c1CN1C[C@@H](C)[C@@]2(CCN(c3ccsc3)C2=O)C1.
What is the InChIKey of (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is FOOVQNJBYUTZRJ-KZULUSFZSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-8-20(9-16-13(2)19-23-14(16)3)11-18(12)5-6-21(17(18)22)15-4-7-24-10-15/h4,7,10,12H,5-6,8-9,11H2,1-3H3/t12-,18-/m1/s1.
What are the key properties of (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 345.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).