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

C21H34N4O2 — CID 97137021

IUPAC(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(Cc1cc(C3CCCCC3)no1)CCN2C
InChIInChI=1S/C21H34N4O2/c1-23-11-10-21(9-8-20(23)26)16-25(13-12-24(21)2)15-18-14-19(22-27-18)17-6-4-3-5-7-17/h14,17H,3-13,15-16H2,1-2H3/t21-/m0/s1
InChIKeyXWIQDHAHVOEBOD-NRFANRHFSA-N
MW374.53 g/mol
LogP2.85
Rot. Bonds3

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

(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97137021) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97137021
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CC[C@@]2(CCC1=O)CN(Cc1cc(C3CCCCC3)no1)CCN2C
InChIInChI=1S/C21H34N4O2/c1-23-11-10-21(9-8-20(23)26)16-25(13-12-24(21)2)15-18-14-19(22-27-18)17-6-4-3-5-7-17/h14,17H,3-13,15-16H2,1-2H3/t21-/m0/s1
InChIKeyXWIQDHAHVOEBOD-NRFANRHFSA-N
XLogP2.85
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
CID 154919996
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
(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
(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)-4-(furan-3-ylmethyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204877
9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid
CID 172909889
(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
(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
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
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

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97137021) is (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CC[C@@]2(CCC1=O)CN(Cc1cc(C3CCCCC3)no1)CCN2C.
What is the InChIKey of (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is XWIQDHAHVOEBOD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-23-11-10-21(9-8-20(23)26)16-25(13-12-24(21)2)15-18-14-19(22-27-18)17-6-4-3-5-7-17/h14,17H,3-13,15-16H2,1-2H3/t21-/m0/s1.
What are the key properties of (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 374.53 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97137021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).