5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide

C19H18N2O3 — CID 3243612

IUPAC5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccccc3)no2)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-9-5-8-15(12-16)18-13-17(21-24-18)19(22)20-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyCQTSDBSXPZOOKM-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.32
Rot. Bonds6

About 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 3243612) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID3243612
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCc3ccccc3)no2)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-9-5-8-15(12-16)18-13-17(21-24-18)19(22)20-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyCQTSDBSXPZOOKM-UHFFFAOYSA-N
XLogP3.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 3243612) is 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCCc3ccccc3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CQTSDBSXPZOOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-16-9-5-8-15(12-16)18-13-17(21-24-18)19(22)20-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,22).
What are the key properties of 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3243612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).