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

C19H17NO4 — CID 151350857

IUPAC2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1C(=O)OCCO
InChIInChI=1S/C19H17NO4/c1-13-17(19(22)23-12-11-21)20-18(24-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3
InChIKeyOMLOEOCGCFXFSG-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.47
Rot. Bonds5

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

2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 151350857) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID151350857
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccc(-c3ccccc3)cc2)nc1C(=O)OCCO
InChIInChI=1S/C19H17NO4/c1-13-17(19(22)23-12-11-21)20-18(24-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3
InChIKeyOMLOEOCGCFXFSG-UHFFFAOYSA-N
XLogP3.47
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71392848
2-hydroxyethyl 2-(2-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 147326313
2-(4-bromophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726627
2-(4-chlorophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726389
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
[2-oxo-2-(2-phenylanilino)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726467
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 17443218
[4-(2-cyanophenyl)phenyl]methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 18229433

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate (CID 151350857) is 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is OMLOEOCGCFXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-17(19(22)23-12-11-21)20-18(24-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3.
What are the key properties of 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate?
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 151350857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).