3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18N2O3 — CID 2962271

IUPAC3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C18H18N2O3/c21-16-9-5-4-8-14(16)15-12-17(23-20-15)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,17,21H,10-12H2,(H,19,22)
InChIKeyMJBASBFRAJBAJA-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.24
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962271) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962271
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C18H18N2O3/c21-16-9-5-4-8-14(16)15-12-17(23-20-15)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,17,21H,10-12H2,(H,19,22)
InChIKeyMJBASBFRAJBAJA-UHFFFAOYSA-N
XLogP2.24
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962271) is 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCc1ccccc1)C1CC(c2ccccc2O)=NO1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MJBASBFRAJBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16-9-5-4-8-14(16)15-12-17(23-20-15)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,17,21H,10-12H2,(H,19,22).
What are the key properties of 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).