(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

C19H31N3O2 — CID 95710005

IUPAC(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(Cc2cc(C3CCCCC3)no2)[C@@H](C)C1=O
InChIInChI=1S/C19H31N3O2/c1-14(2)12-22-10-9-21(15(3)19(22)23)13-17-11-18(20-24-17)16-7-5-4-6-8-16/h11,14-16H,4-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeyLAFSDTYDAMJOHU-HNNXBMFYSA-N
MW333.48 g/mol
LogP3.41
Rot. Bonds5

About (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 95710005) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID95710005
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(Cc2cc(C3CCCCC3)no2)[C@@H](C)C1=O
InChIInChI=1S/C19H31N3O2/c1-14(2)12-22-10-9-21(15(3)19(22)23)13-17-11-18(20-24-17)16-7-5-4-6-8-16/h11,14-16H,4-10,12-13H2,1-3H3/t15-/m0/s1
InChIKeyLAFSDTYDAMJOHU-HNNXBMFYSA-N
XLogP3.41
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-methyl-1-(2-methylpropyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 125174779
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
CID 72926326
4-(1-benzofuran-5-ylmethyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70776408
3-cyclohexyl-5-[[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,2-oxazole
CID 70708804
2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162638466
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70784052
(3R)-4-[(7-hydroxyquinolin-3-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 136829958
(3S)-4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95723749
4-[2-[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56893078
[(4aS,6R)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 154567630
1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106421362
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 95710005) is (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(Cc2cc(C3CCCCC3)no2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is LAFSDTYDAMJOHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)12-22-10-9-21(15(3)19(22)23)13-17-11-18(20-24-17)16-7-5-4-6-8-16/h11,14-16H,4-10,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 333.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 95710005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).