methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate

C14H17NO4 — CID 570115

IUPACmethyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1(C(C)O)N=C(c2ccccc2)OC1C
InChIInChI=1S/C14H17NO4/c1-9(16)14(13(17)18-3)10(2)19-12(15-14)11-7-5-4-6-8-11/h4-10,16H,1-3H3
InChIKeyPCSPFFPHYURLQA-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.14
Rot. Bonds3

About methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate

methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 570115) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
PubChem CID570115
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1(C(C)O)N=C(c2ccccc2)OC1C
InChIInChI=1S/C14H17NO4/c1-9(16)14(13(17)18-3)10(2)19-12(15-14)11-7-5-4-6-8-11/h4-10,16H,1-3H3
InChIKeyPCSPFFPHYURLQA-UHFFFAOYSA-N
XLogP1.14
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S,5S)-4-[(1S)-3-ethoxy-1-hydroxy-2,2-dimethyl-3-oxopropyl]-2-phenyl-5-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 11784140
methyl (4S,5S)-4-(hydroxymethyl)-2-phenyl-5-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 11832702
methyl 5-methyl-4-(2-nitroethyl)-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 616232
methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 571094
methyl 5-phenyl-2-propan-2-yl-6-oxa-4-azaspiro[2.4]hept-4-ene-7-carboxylate
CID 11514602
methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 10761738
methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate
CID 58807302
methyl (4S,5S)-2,5-diphenyl-4-[(4-propan-2-ylphenyl)methyl]-5H-1,3-oxazole-4-carboxylate
CID 130327798
methyl (5S)-5-[(1R)-1-hydroxy-2-methylpropyl]-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 10265510
methyl (4R,5S)-4-[(2R,3S)-2-hydroxy-3-methoxycarbonylnonyl]-2-phenyl-5-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 69135024
methyl (4S,5R)-4-benzyl-5-(furan-2-yl)-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327741
methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 10966829

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (CID 570115) is methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is COC(=O)C1(C(C)O)N=C(c2ccccc2)OC1C.
What is the InChIKey of methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is PCSPFFPHYURLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(16)14(13(17)18-3)10(2)19-12(15-14)11-7-5-4-6-8-11/h4-10,16H,1-3H3.
What are the key properties of methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 570115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).