(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

C21H26N4O4 — CID 110160595

IUPAC(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nonc1CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O
InChIInChI=1S/C21H26N4O4/c1-14-16(23-29-22-14)12-18(27)25-10-8-21(9-11-25)13-17(26)19(24(2)20(21)28)15-6-4-3-5-7-15/h3-7,17,19,26H,8-13H2,1-2H3/t17-,19+/m1/s1
InChIKeyWFTIXIBAUIVFTH-MJGOQNOKSA-N
MW398.46 g/mol
LogP1.49
Rot. Bonds3

About (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 110160595) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID110160595
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1nonc1CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O
InChIInChI=1S/C21H26N4O4/c1-14-16(23-29-22-14)12-18(27)25-10-8-21(9-11-25)13-17(26)19(24(2)20(21)28)15-6-4-3-5-7-15/h3-7,17,19,26H,8-13H2,1-2H3/t17-,19+/m1/s1
InChIKeyWFTIXIBAUIVFTH-MJGOQNOKSA-N
XLogP1.49
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160576
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
CID 125014139
(3S,4R,6R)-4-hydroxy-2-methyl-3-phenyl-8-(3-propyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 155988594
formic acid;8-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172912410
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 155502029
(3S,4R)-9-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160658
(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97139032
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 91761714
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(2-oxa-6-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-6-yl)ethanone
CID 155994973
N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide
CID 155988476

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (CID 110160595) is (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is Cc1nonc1CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O.
What is the InChIKey of (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is WFTIXIBAUIVFTH-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14-16(23-29-22-14)12-18(27)25-10-8-21(9-11-25)13-17(26)19(24(2)20(21)28)15-6-4-3-5-7-15/h3-7,17,19,26H,8-13H2,1-2H3/t17-,19+/m1/s1.
What are the key properties of (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 398.46 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 110160595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).