N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide

C15H24N4O3 — CID 72874399

IUPACN-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CN1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H24N4O3/c1-4-17(8-9-18-7-5-6-16-18)14(20)10-19-13(12(2)3)11-22-15(19)21/h5-7,12-13H,4,8-11H2,1-3H3/t13-/m1/s1
InChIKeyNLYUNVCVYULUEB-CYBMUJFWSA-N
MW308.38 g/mol
LogP1.21
Rot. Bonds7

About N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide

N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 72874399) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID72874399
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCCN(CCn1cccn1)C(=O)CN1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H24N4O3/c1-4-17(8-9-18-7-5-6-16-18)14(20)10-19-13(12(2)3)11-22-15(19)21/h5-7,12-13H,4,8-11H2,1-3H3/t13-/m1/s1
InChIKeyNLYUNVCVYULUEB-CYBMUJFWSA-N
XLogP1.21
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide (CID 72874399) is N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide is CCN(CCn1cccn1)C(=O)CN1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is NLYUNVCVYULUEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-17(8-9-18-7-5-6-16-18)14(20)10-19-13(12(2)3)11-22-15(19)21/h5-7,12-13H,4,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide?
N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 72874399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).