benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate

C17H15NO3 — CID 14998593

IUPACbenzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15NO3/c19-17(20-12-13-7-3-1-4-8-13)16-11-15(18-21-16)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyXRVGKGGISAXAAZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.92
Rot. Bonds4

About benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate

benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 14998593) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID14998593
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namebenzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C17H15NO3/c19-17(20-12-13-7-3-1-4-8-13)16-11-15(18-21-16)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyXRVGKGGISAXAAZ-UHFFFAOYSA-N
XLogP2.92
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl (5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 97081446
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46489182
(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 55666436
methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate
CID 55668286
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
(2R)-2-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-4-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 124714563
(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 7373147
N-benzyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 42790227
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660
benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201142

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 14998593) is benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is O=C(OCc1ccccc1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is XRVGKGGISAXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(20-12-13-7-3-1-4-8-13)16-11-15(18-21-16)14-9-5-2-6-10-14/h1-10,16H,11-12H2.
What are the key properties of benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 14998593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).