(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H30N4O3 — CID 97142214

IUPAC(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CC[C@@]2(CCC1=O)CN(Cc1cc(C)no1)CCN2C
InChIInChI=1S/C18H30N4O3/c1-15-12-16(25-19-15)13-21-9-8-20(2)18(14-21)5-4-17(23)22(7-6-18)10-11-24-3/h12H,4-11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyFPJBPBTYGHXPMB-SFHVURJKSA-N
MW350.46 g/mol
LogP1.13
Rot. Bonds5

About (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97142214) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97142214
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CC[C@@]2(CCC1=O)CN(Cc1cc(C)no1)CCN2C
InChIInChI=1S/C18H30N4O3/c1-15-12-16(25-19-15)13-21-9-8-20(2)18(14-21)5-4-17(23)22(7-6-18)10-11-24-3/h12H,4-11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyFPJBPBTYGHXPMB-SFHVURJKSA-N
XLogP1.13
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(6S)-10-(2-methoxyethyl)-1-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130711
(6R)-10-(2-methoxyethyl)-1-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98841921
10-(2-methoxyethyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72852906
10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70742987
3-[[(6S)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzonitrile
CID 97204100
2-(3-methoxypropyl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70749883
4-(4-fluorobutyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70777697
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72918843
(6S)-10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146365
10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72934530
(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153786

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97142214) is (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is COCCN1CC[C@@]2(CCC1=O)CN(Cc1cc(C)no1)CCN2C.
What is the InChIKey of (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is FPJBPBTYGHXPMB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-15-12-16(25-19-15)13-21-9-8-20(2)18(14-21)5-4-17(23)22(7-6-18)10-11-24-3/h12H,4-11,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 350.46 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97142214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).