N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide

C23H31ClN4O4 — CID 76706498

IUPACN-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide
SMILESCC1C(=O)N2C(CCN3CCC4(CC4)C(O)C3)COC2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H31ClN4O4/c1-15-21(30)28-18(5-9-26-10-8-23(6-7-23)19(29)12-26)14-32-20(28)13-27(15)22(31)25-17-4-2-3-16(24)11-17/h2-4,11,15,18-20,29H,5-10,12-14H2,1H3,(H,25,31)
InChIKeyJUNKBZPMTLLNHJ-UHFFFAOYSA-N
MW462.98 g/mol
LogP2.37
Rot. Bonds4

About N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide

N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide (PubChem CID 76706498) has the molecular formula C23H31ClN4O4 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide
PubChem CID76706498
Molecular FormulaC23H31ClN4O4
Molecular Weight462.98 g/mol
Exact Mass462.20
IUPAC NameN-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide
SMILESCC1C(=O)N2C(CCN3CCC4(CC4)C(O)C3)COC2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H31ClN4O4/c1-15-21(30)28-18(5-9-26-10-8-23(6-7-23)19(29)12-26)14-32-20(28)13-27(15)22(31)25-17-4-2-3-16(24)11-17/h2-4,11,15,18-20,29H,5-10,12-14H2,1H3,(H,25,31)
InChIKeyJUNKBZPMTLLNHJ-UHFFFAOYSA-N
XLogP2.37
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

(2S)-N-(3-chlorophenyl)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612250
(2S)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 59149931
N-(3,4-dichlorophenyl)-4-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-7-methyl-6-oxo-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 75628384
(2R)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 59149894
(2S)-N-(3,4-dichlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612134
(2S)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl]-2-methyl-3-oxo-N-(3-pyridin-4-ylphenyl)piperazine-1-carboxamide
CID 59149888
4-[3-(6-azaspiro[2.5]octan-6-yl)propyl]-N-(3-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 143925494
N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 67080831
(4S,7S)-8-[2-(3,4-dichlorophenyl)acetyl]-4-[[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]methyl]-7-methyl-2,3,4,7,9,9a-hexahydropyrazino[2,1-b][1,3]oxazin-6-one
CID 58219404
lithium;2-[4-[(3-chlorophenyl)carbamoyl]-7-oxo-1,4-diazepan-1-yl]-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butanoic acid;hydride
CID 173044851
N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 75082212
N-(3,4-dichlorophenyl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7-methyl-6-oxo-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 77224773

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide (CID 76706498) is N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide is CC1C(=O)N2C(CCN3CCC4(CC4)C(O)C3)COC2CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide?
The InChIKey is JUNKBZPMTLLNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O4/c1-15-21(30)28-18(5-9-26-10-8-23(6-7-23)19(29)12-26)14-32-20(28)13-27(15)22(31)25-17-4-2-3-16(24)11-17/h2-4,11,15,18-20,29H,5-10,12-14H2,1H3,(H,25,31).
What are the key properties of N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide?
N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)ethyl]-6-methyl-5-oxo-3,6,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 76706498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).