N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H20N2O4 — CID 95379441

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H20N2O4/c23-18(12-22-16-8-4-5-9-17(16)26-19(22)24)21-13-20(25,15-10-11-15)14-6-2-1-3-7-14/h1-9,15,25H,10-13H2,(H,21,23)/t20-/m1/s1
InChIKeyYMKZRESQNMVMIM-HXUWFJFHSA-N
MW352.39 g/mol
LogP2.01
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 95379441) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID95379441
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C20H20N2O4/c23-18(12-22-16-8-4-5-9-17(16)26-19(22)24)21-13-20(25,15-10-11-15)14-6-2-1-3-7-14/h1-9,15,25H,10-13H2,(H,21,23)/t20-/m1/s1
InChIKeyYMKZRESQNMVMIM-HXUWFJFHSA-N
XLogP2.01
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52907105
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90605048
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 61262096
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 119101192
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 95379441) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NC[C@@](O)(c1ccccc1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is YMKZRESQNMVMIM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(12-22-16-8-4-5-9-17(16)26-19(22)24)21-13-20(25,15-10-11-15)14-6-2-1-3-7-14/h1-9,15,25H,10-13H2,(H,21,23)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 95379441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).