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

C19H23N3O2 — CID 139232525

IUPAC(2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
SMILESCN1O[C@@H](c2ccccc2)C[C@H]1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-22-18(13-17(24-22)15-10-6-3-7-11-15)21-19(23)16(20)12-14-8-4-2-5-9-14/h2-11,16-18H,12-13,20H2,1H3,(H,21,23)/t16-,17+,18-/m0/s1
InChIKeyNDSBASYRGJGMCS-KSZLIROESA-N
MW325.41 g/mol
LogP2.01
Rot. Bonds5

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

(2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide (PubChem CID 139232525) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
PubChem CID139232525
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
SMILESCN1O[C@@H](c2ccccc2)C[C@H]1NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-22-18(13-17(24-22)15-10-6-3-7-11-15)21-19(23)16(20)12-14-8-4-2-5-9-14/h2-11,16-18H,12-13,20H2,1H3,(H,21,23)/t16-,17+,18-/m0/s1
InChIKeyNDSBASYRGJGMCS-KSZLIROESA-N
XLogP2.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3S,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
CID 139232531
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(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-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
CID 119868626
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide (CID 139232525) is (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide is CN1O[C@@H](c2ccccc2)C[C@H]1NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
The InChIKey is NDSBASYRGJGMCS-KSZLIROESA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22-18(13-17(24-22)15-10-6-3-7-11-15)21-19(23)16(20)12-14-8-4-2-5-9-14/h2-11,16-18H,12-13,20H2,1H3,(H,21,23)/t16-,17+,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 2.01, 5 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-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 139232525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).