N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide

C20H22N2O3 — CID 110632574

IUPACN-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1CN(c2ccccc2)C(=O)O1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(16-8-4-2-5-9-16)12-19(23)21-13-18-14-22(20(24)25-18)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,21,23)
InChIKeyBJQXHWSYXIJAIV-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.32
Rot. Bonds6

About N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide

N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide (PubChem CID 110632574) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
PubChem CID110632574
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1CN(c2ccccc2)C(=O)O1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-15(16-8-4-2-5-9-16)12-19(23)21-13-18-14-22(20(24)25-18)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,21,23)
InChIKeyBJQXHWSYXIJAIV-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfonyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110632601
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylbutanamide
CID 110328161
2-cyclopropyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-2-phenylacetamide
CID 110632599
2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689
2-(4-morpholin-4-ylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110632593
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
CID 110632616

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide?
The IUPAC name of N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide (CID 110632574) is N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide?
The canonical SMILES for N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide is CC(CC(=O)NCC1CN(c2ccccc2)C(=O)O1)c1ccccc1.
What is the InChIKey of N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide?
The InChIKey is BJQXHWSYXIJAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(16-8-4-2-5-9-16)12-19(23)21-13-18-14-22(20(24)25-18)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,21,23).
What are the key properties of N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide?
N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide has a molecular weight of 338.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 110632574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).