(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

C19H33N5O3 — CID 98841921

IUPAC(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
SMILESCOCCN1CC[C@]2(CCC1=O)CN(Cc1nc(C(C)C)no1)CCN2C
InChIInChI=1S/C19H33N5O3/c1-15(2)18-20-16(27-21-18)13-23-10-9-22(3)19(14-23)6-5-17(25)24(8-7-19)11-12-26-4/h15H,5-14H2,1-4H3/t19-/m1/s1
InChIKeyDYDNMEXLBFLSIT-LJQANCHMSA-N
MW379.51 g/mol
LogP1.34
Rot. Bonds6

About (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

(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 (PubChem CID 98841921) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID98841921
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC Name(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
SMILESCOCCN1CC[C@]2(CCC1=O)CN(Cc1nc(C(C)C)no1)CCN2C
InChIInChI=1S/C19H33N5O3/c1-15(2)18-20-16(27-21-18)13-23-10-9-22(3)19(14-23)6-5-17(25)24(8-7-19)11-12-26-4/h15H,5-14H2,1-4H3/t19-/m1/s1
InChIKeyDYDNMEXLBFLSIT-LJQANCHMSA-N
XLogP1.34
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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
10-(2-methoxyethyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72852906
4-(4-fluorobutyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70777697
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-ethyl-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747573
(6S)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130092
(5S)-9-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95710061
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
(6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97147509

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCCN1CC[C@]2(CCC1=O)CN(Cc1nc(C(C)C)no1)CCN2C.
What is the InChIKey of (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?
The InChIKey is DYDNMEXLBFLSIT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-15(2)18-20-16(27-21-18)13-23-10-9-22(3)19(14-23)6-5-17(25)24(8-7-19)11-12-26-4/h15H,5-14H2,1-4H3/t19-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 379.51 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 98841921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).