ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C16H15NO4 — CID 139762832

IUPACethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(c2ccccc2)OC1c1ccco1
InChIInChI=1S/C16H15NO4/c1-2-19-16(18)13-14(12-9-6-10-20-12)21-15(17-13)11-7-4-3-5-8-11/h3-10,13-14H,2H2,1H3
InChIKeyVVLCBUDSARAWCK-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.73
Rot. Bonds4

About ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 139762832) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID139762832
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=C(c2ccccc2)OC1c1ccco1
InChIInChI=1S/C16H15NO4/c1-2-19-16(18)13-14(12-9-6-10-20-12)21-15(17-13)11-7-4-3-5-8-11/h3-10,13-14H,2H2,1H3
InChIKeyVVLCBUDSARAWCK-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate 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

4-benzyl-2-(furan-2-yl)-4H-1,3-oxazol-5-one
CID 20540788
methyl (4S,5R)-5-(furan-2-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11289607
methyl (4R,5R)-5-(furan-2-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 14923504
trimethyl (2R,3R)-3-(benzhydrylideneamino)-2-(furan-2-yl)propane-1,1,3-tricarboxylate
CID 101539251
(4S)-4-[(1S)-1-(furan-2-yl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582089
dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate
CID 134875915
methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 135027031
[2-(Furan-2-yl)-4,5-dihydro-1,3-oxazol-5-yl]-phenylmethanone
CID 177857018
ethyl 5-[(2R,3R,4S)-4-isothiocyanato-3-phenylmethoxyoxolan-2-yl]-2-methylfuran-3-carboxylate
CID 11784021
4-(Furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 15215132
(4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid
CID 15215133
4-(2-methylfuran-3-yl)-2-phenyl-4H-1,3-oxazol-5-one
CID 19756043

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 139762832) is ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=C(c2ccccc2)OC1c1ccco1.
What is the InChIKey of ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is VVLCBUDSARAWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-19-16(18)13-14(12-9-6-10-20-12)21-15(17-13)11-7-4-3-5-8-11/h3-10,13-14H,2H2,1H3.
What are the key properties of ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).