(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C17H20N4O3 — CID 95738008

IUPAC(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cn1
InChIInChI=1S/C17H20N4O3/c1-3-21-10-13(9-18-21)19-17(23)16-15(12-7-5-4-6-8-12)20(2)14(22)11-24-16/h4-10,15-16H,3,11H2,1-2H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyVIUSETKJNCTWOV-HOTGVXAUSA-N
MW328.37 g/mol
LogP1.44
Rot. Bonds4

About (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 95738008) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID95738008
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cn1
InChIInChI=1S/C17H20N4O3/c1-3-21-10-13(9-18-21)19-17(23)16-15(12-7-5-4-6-8-12)20(2)14(22)11-24-16/h4-10,15-16H,3,11H2,1-2H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyVIUSETKJNCTWOV-HOTGVXAUSA-N
XLogP1.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 95738008) is (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CCn1cc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)cn1.
What is the InChIKey of (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is VIUSETKJNCTWOV-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-21-10-13(9-18-21)19-17(23)16-15(12-7-5-4-6-8-12)20(2)14(22)11-24-16/h4-10,15-16H,3,11H2,1-2H3,(H,19,23)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 95738008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).