(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide

C16H21N3O3 — CID 68890744

IUPAC(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide
SMILESC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccon1
InChIInChI=1S/C16H21N3O3/c1-11(16(21)18-15-7-8-22-19-15)9-14(20)13(17)10-12-5-3-2-4-6-12/h2-8,11,13-14,20H,9-10,17H2,1H3,(H,18,19,21)/t11-,13+,14+/m1/s1
InChIKeyRWWINFPSIDPUGH-XBFCOCLRSA-N
MW303.36 g/mol
LogP1.57
Rot. Bonds7

About (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide

(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide (PubChem CID 68890744) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide
PubChem CID68890744
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide
SMILESC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccon1
InChIInChI=1S/C16H21N3O3/c1-11(16(21)18-15-7-8-22-19-15)9-14(20)13(17)10-12-5-3-2-4-6-12/h2-8,11,13-14,20H,9-10,17H2,1H3,(H,18,19,21)/t11-,13+,14+/m1/s1
InChIKeyRWWINFPSIDPUGH-XBFCOCLRSA-N
XLogP1.57
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1,2-oxazol-3-yl)-3-phenylpropanamide
CID 62903425
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide
CID 135775451
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide
CID 135678156
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 16596743
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide
CID 11725187
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 121452393

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide (CID 68890744) is (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide is C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccon1.
What is the InChIKey of (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide?
The InChIKey is RWWINFPSIDPUGH-XBFCOCLRSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(16(21)18-15-7-8-22-19-15)9-14(20)13(17)10-12-5-3-2-4-6-12/h2-8,11,13-14,20H,9-10,17H2,1H3,(H,18,19,21)/t11-,13+,14+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide?
(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide has a molecular weight of 303.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide is sourced from PubChem (CID 68890744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).