[3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate

C17H24N2O5 — CID 136727651

IUPAC[3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCC1CC(c2ccc(O)c(OC)c2)=NO1
InChIInChI=1S/C17H24N2O5/c1-4-10(2)16(18)17(21)23-9-12-8-13(19-24-12)11-5-6-14(20)15(7-11)22-3/h5-7,10,12,16,20H,4,8-9,18H2,1-3H3/t10-,12?,16-/m0/s1
InChIKeyUSBBEQUJNXRDOQ-FYWHMBHGSA-N
MW336.39 g/mol
LogP1.81
Rot. Bonds7

About [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate

[3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 136727651) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name[3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
PubChem CID136727651
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCC1CC(c2ccc(O)c(OC)c2)=NO1
InChIInChI=1S/C17H24N2O5/c1-4-10(2)16(18)17(21)23-9-12-8-13(19-24-12)11-5-6-14(20)15(7-11)22-3/h5-7,10,12,16,20H,4,8-9,18H2,1-3H3/t10-,12?,16-/m0/s1
InChIKeyUSBBEQUJNXRDOQ-FYWHMBHGSA-N
XLogP1.81
TPSA103.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate 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-[[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]benzoic acid
CID 142664752
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 3,4,5-trimethoxybenzoate
CID 1256400
[3-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 102555158
2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
CID 101136608
2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
CID 101136611
N-[[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,3,3-trimethylbutanamide
CID 42790129
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
N-[[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylfuran-2-carboxamide
CID 42790128
2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol
CID 136652954
1-(cyclopropylmethyl)-3-[[(5S)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124739703
[(4R)-2-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 135995966
methyl 4-[5-(aminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate
CID 133180331

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate (CID 136727651) is [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)OCC1CC(c2ccc(O)c(OC)c2)=NO1.
What is the InChIKey of [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is USBBEQUJNXRDOQ-FYWHMBHGSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-10(2)16(18)17(21)23-9-12-8-13(19-24-12)11-5-6-14(20)15(7-11)22-3/h5-7,10,12,16,20H,4,8-9,18H2,1-3H3/t10-,12?,16-/m0/s1.
What are the key properties of [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate?
[3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 336.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 136727651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).