2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C18H27N3O2S — CID 30725006

IUPAC2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1oc(-c2cccs2)nc1CN1CCN(C(C)C)[C@@H](CCO)C1
InChIInChI=1S/C18H27N3O2S/c1-13(2)21-8-7-20(11-15(21)6-9-22)12-16-14(3)23-18(19-16)17-5-4-10-24-17/h4-5,10,13,15,22H,6-9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyQBBHDVZDZZJPPU-HNNXBMFYSA-N
MW349.50 g/mol
LogP2.99
Rot. Bonds6

About 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 30725006) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID30725006
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCc1oc(-c2cccs2)nc1CN1CCN(C(C)C)[C@@H](CCO)C1
InChIInChI=1S/C18H27N3O2S/c1-13(2)21-8-7-20(11-15(21)6-9-22)12-16-14(3)23-18(19-16)17-5-4-10-24-17/h4-5,10,13,15,22H,6-9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyQBBHDVZDZZJPPU-HNNXBMFYSA-N
XLogP2.99
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 79868555
[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62014930
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
5-methyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 30750607
[(3aR,7aR)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137337170
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928180
[3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788849
N,N-diethyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 45202856

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 30725006) is 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is Cc1oc(-c2cccs2)nc1CN1CCN(C(C)C)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is QBBHDVZDZZJPPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13(2)21-8-7-20(11-15(21)6-9-22)12-16-14(3)23-18(19-16)17-5-4-10-24-17/h4-5,10,13,15,22H,6-9,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 349.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 30725006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).