2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C17H30N4O3 — CID 98767284

IUPAC2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC[C@H]1CN(CC(=O)Nc2cc(C(C)C)no2)CCN1C[C@H](C)O
InChIInChI=1S/C17H30N4O3/c1-5-14-10-20(6-7-21(14)9-13(4)22)11-16(23)18-17-8-15(12(2)3)19-24-17/h8,12-14,22H,5-7,9-11H2,1-4H3,(H,18,23)/t13-,14-/m0/s1
InChIKeyDEKCVFIMXHVAIC-KBPBESRZSA-N
MW338.45 g/mol
LogP1.51
Rot. Bonds7

About 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 98767284) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID98767284
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC[C@H]1CN(CC(=O)Nc2cc(C(C)C)no2)CCN1C[C@H](C)O
InChIInChI=1S/C17H30N4O3/c1-5-14-10-20(6-7-21(14)9-13(4)22)11-16(23)18-17-8-15(12(2)3)19-24-17/h8,12-14,22H,5-7,9-11H2,1-4H3,(H,18,23)/t13-,14-/m0/s1
InChIKeyDEKCVFIMXHVAIC-KBPBESRZSA-N
XLogP1.51
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 98767284) is 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC[C@H]1CN(CC(=O)Nc2cc(C(C)C)no2)CCN1C[C@H](C)O.
What is the InChIKey of 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is DEKCVFIMXHVAIC-KBPBESRZSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-5-14-10-20(6-7-21(14)9-13(4)22)11-16(23)18-17-8-15(12(2)3)19-24-17/h8,12-14,22H,5-7,9-11H2,1-4H3,(H,18,23)/t13-,14-/m0/s1.
What are the key properties of 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 98767284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).