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

C17H14N2O4 — CID 3685905

IUPACN-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(O)c3)no2)cc1
InChIInChI=1S/C17H14N2O4/c1-22-14-7-5-11(6-8-14)16-10-15(19-23-16)17(21)18-12-3-2-4-13(20)9-12/h2-10,20H,1H3,(H,18,21)
InChIKeyRAWXJJQWLNGKQM-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.31
Rot. Bonds4

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

N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3685905) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3685905
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(O)c3)no2)cc1
InChIInChI=1S/C17H14N2O4/c1-22-14-7-5-11(6-8-14)16-10-15(19-23-16)17(21)18-12-3-2-4-13(20)9-12/h2-10,20H,1H3,(H,18,21)
InChIKeyRAWXJJQWLNGKQM-UHFFFAOYSA-N
XLogP3.31
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3685905) is N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc(O)c3)no2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RAWXJJQWLNGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-14-7-5-11(6-8-14)16-10-15(19-23-16)17(21)18-12-3-2-4-13(20)9-12/h2-10,20H,1H3,(H,18,21).
What are the key properties of N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3685905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).