methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate

C15H19NO4 — CID 10265510

IUPACmethyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@]1([C@H](O)C(C)C)CC(c2ccccc2)=NO1
InChIInChI=1S/C15H19NO4/c1-10(2)13(17)15(14(18)19-3)9-12(16-20-15)11-7-5-4-6-8-11/h4-8,10,13,17H,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyGNFMEWSBETZGIP-HIFRSBDPSA-N
MW277.32 g/mol
LogP1.74
Rot. Bonds4

About methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate

methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 10265510) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
PubChem CID10265510
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@]1([C@H](O)C(C)C)CC(c2ccccc2)=NO1
InChIInChI=1S/C15H19NO4/c1-10(2)13(17)15(14(18)19-3)9-12(16-20-15)11-7-5-4-6-8-11/h4-8,10,13,17H,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyGNFMEWSBETZGIP-HIFRSBDPSA-N
XLogP1.74
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (5R)-5-[(R)-(1,3-dioxoisoindol-2-yl)-phenylmethyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 44607058
methyl 3-(aminomethyl)-5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxylate;hydrochloride
CID 163398012
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
methyl (5R)-5-[(S)-[(3S)-6-bromo-2-oxo-3-phenyl-1-benzofuran-3-yl]-phenylmethyl]-3-(4-bromophenyl)-4H-1,2-oxazole-5-carboxylate
CID 71608849
[3-methyl-1-[(5-methyl-3-phenyl-4H-1,2-oxazole-5-carbonyl)amino]butyl]boronic acid
CID 174058339
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
5-amino-3-phenyl-4H-1,2-oxazole-5-carboxylic acid
CID 11790369
methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 570115
methyl 3-(4-bromophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 165345349
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate (CID 10265510) is methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate is COC(=O)[C@@]1([C@H](O)C(C)C)CC(c2ccccc2)=NO1.
What is the InChIKey of methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is GNFMEWSBETZGIP-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(2)13(17)15(14(18)19-3)9-12(16-20-15)11-7-5-4-6-8-11/h4-8,10,13,17H,9H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate?
methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 10265510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).