(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H26N4O3 — CID 97201812

IUPAC(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1noc(C)c1C(=O)N1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C17H26N4O3/c1-12-15(13(2)24-18-12)16(23)21-10-9-20(4)17(11-21)6-5-14(22)19(3)8-7-17/h5-11H2,1-4H3/t17-/m1/s1
InChIKeyIXSIMYLXFVHSAC-QGZVFWFLSA-N
MW334.42 g/mol
LogP1.06
Rot. Bonds1

About (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97201812) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97201812
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1noc(C)c1C(=O)N1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C17H26N4O3/c1-12-15(13(2)24-18-12)16(23)21-10-9-20(4)17(11-21)6-5-14(22)19(3)8-7-17/h5-11H2,1-4H3/t17-/m1/s1
InChIKeyIXSIMYLXFVHSAC-QGZVFWFLSA-N
XLogP1.06
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805101
1,10-dimethyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72914414
4-(5-chloropyridine-3-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72890290
1,10-dimethyl-4-(quinoxaline-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72941343
(5R)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373555
4-(2H-benzotriazole-5-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72899051
(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146455
4-(5-ethoxyfuran-2-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72850908
(6S)-1,10-dimethyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204101
(6S)-4-[2-(2-methoxyethoxy)acetyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286758
(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97202940
(6S)-1,10-dimethyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121832

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97201812) is (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1noc(C)c1C(=O)N1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1.
What is the InChIKey of (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is IXSIMYLXFVHSAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-15(13(2)24-18-12)16(23)21-10-9-20(4)17(11-21)6-5-14(22)19(3)8-7-17/h5-11H2,1-4H3/t17-/m1/s1.
What are the key properties of (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 334.42 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97201812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).