(2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide

C25H27N3O2 — CID 139232531

IUPAC(2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H](c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C25H27N3O2/c26-22(16-19-10-4-1-5-11-19)25(29)27-24-17-23(21-14-8-3-9-15-21)30-28(24)18-20-12-6-2-7-13-20/h1-15,22-24H,16-18,26H2,(H,27,29)/t22-,23+,24-/m0/s1
InChIKeyNZVMHDKSAOEJMR-VXNXHJTFSA-N
MW401.51 g/mol
LogP3.58
Rot. Bonds7

About (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide

(2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide (PubChem CID 139232531) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
PubChem CID139232531
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H](c2ccccc2)ON1Cc1ccccc1
InChIInChI=1S/C25H27N3O2/c26-22(16-19-10-4-1-5-11-19)25(29)27-24-17-23(21-14-8-3-9-15-21)30-28(24)18-20-12-6-2-7-13-20/h1-15,22-24H,16-18,26H2,(H,27,29)/t22-,23+,24-/m0/s1
InChIKeyNZVMHDKSAOEJMR-VXNXHJTFSA-N
XLogP3.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
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(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
2-amino-N-(1-benzylpyrrolidin-3-yl)-3-phenylpropanamide;dihydrochloride
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cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2R)-2-amino-N-[(3R)-1,5-dimethyl-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 139404976
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide (CID 139232531) is (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H](c2ccccc2)ON1Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
The InChIKey is NZVMHDKSAOEJMR-VXNXHJTFSA-N. The full InChI is InChI=1S/C25H27N3O2/c26-22(16-19-10-4-1-5-11-19)25(29)27-24-17-23(21-14-8-3-9-15-21)30-28(24)18-20-12-6-2-7-13-20/h1-15,22-24H,16-18,26H2,(H,27,29)/t22-,23+,24-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide has a molecular weight of 401.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 139232531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).