3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C22H25N3O4 — CID 11984003

IUPAC3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]([C@@H](Nc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H25N3O4/c26-21(25-13-16-29-22(25)27)20(24-11-14-28-15-12-24)19(17-7-3-1-4-8-17)23-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2/t19-,20+/m0/s1
InChIKeyJFVCLXFNRUSJHA-VQTJNVASSA-N
MW395.46 g/mol
LogP2.52
Rot. Bonds6

About 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 11984003) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID11984003
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]([C@@H](Nc1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H25N3O4/c26-21(25-13-16-29-22(25)27)20(24-11-14-28-15-12-24)19(17-7-3-1-4-8-17)23-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2/t19-,20+/m0/s1
InChIKeyJFVCLXFNRUSJHA-VQTJNVASSA-N
XLogP2.52
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 146166726
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
benzyl N-[(1R,2R)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)-1-phenylbutyl]carbamate
CID 139117529
3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575
N-(2-methyl-1-phenylpropyl)morpholin-4-amine
CID 83011282
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
CID 101092086

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 11984003) is 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@@H]([C@@H](Nc1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is JFVCLXFNRUSJHA-VQTJNVASSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(25-13-16-29-22(25)27)20(24-11-14-28-15-12-24)19(17-7-3-1-4-8-17)23-18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2/t19-,20+/m0/s1.
What are the key properties of 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 395.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-3-anilino-2-morpholin-4-yl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11984003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).