N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C18H16N2O3 — CID 24738150

IUPACN-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H16N2O3/c21-15-8-6-13(7-9-15)10-11-19-18(22)16-12-17(23-20-16)14-4-2-1-3-5-14/h1-9,12,21H,10-11H2,(H,19,22)
InChIKeyVBCJVRDLARNBHF-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 24738150) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID24738150
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H16N2O3/c21-15-8-6-13(7-9-15)10-11-19-18(22)16-12-17(23-20-16)14-4-2-1-3-5-14/h1-9,12,21H,10-11H2,(H,19,22)
InChIKeyVBCJVRDLARNBHF-UHFFFAOYSA-N
XLogP3.02
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24739766
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
1-[2-(4-hydroxyphenyl)ethyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 122156014
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylfuran-2-carboxamide
CID 4108306
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619652
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112845456
ethane;5-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 144922079
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 24738150) is N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCc1ccc(O)cc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is VBCJVRDLARNBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-15-8-6-13(7-9-15)10-11-19-18(22)16-12-17(23-20-16)14-4-2-1-3-5-14/h1-9,12,21H,10-11H2,(H,19,22).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24738150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).