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

C17H28N4O2 — CID 98805101

IUPAC(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1noc(C)c1CN1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-15(14(2)23-18-13)11-21-10-9-20(4)17(12-21)6-5-16(22)19(3)8-7-17/h5-12H2,1-4H3/t17-/m1/s1
InChIKeyYRCOLUXJESXWBD-QGZVFWFLSA-N
MW320.44 g/mol
LogP1.42
Rot. Bonds2

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

(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 98805101) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID98805101
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1noc(C)c1CN1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C17H28N4O2/c1-13-15(14(2)23-18-13)11-21-10-9-20(4)17(12-21)6-5-16(22)19(3)8-7-17/h5-12H2,1-4H3/t17-/m1/s1
InChIKeyYRCOLUXJESXWBD-QGZVFWFLSA-N
XLogP1.42
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201812
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
(6R)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98842150
(6S)-1,10-dimethyl-4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203254
(6S)-4-(furan-3-ylmethyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204877
4-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845994
4-[(4-tert-butylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759678
(6R)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100905563
1,10-dimethyl-4-(2-propoxyethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70710897
(6S)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97116400
1,10-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70718609
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72901046

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (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) is (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1noc(C)c1CN1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1.
What is the InChIKey of (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is YRCOLUXJESXWBD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-15(14(2)23-18-13)11-21-10-9-20(4)17(12-21)6-5-16(22)19(3)8-7-17/h5-12H2,1-4H3/t17-/m1/s1.
What are the key properties of (6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 320.44 g/mol, XLogP of 1.42, 2 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-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 98805101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).