5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide

C14H11N3O4 — CID 135472763

IUPAC5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(O)cc3)on2)no1
InChIInChI=1S/C14H11N3O4/c1-8-6-13(17-20-8)15-14(19)11-7-12(21-16-11)9-2-4-10(18)5-3-9/h2-7,18H,1H3,(H,15,17,19)
InChIKeyYZGRGHHNOONHPJ-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.60
Rot. Bonds3

About 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide

5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 135472763) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID135472763
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(O)cc3)on2)no1
InChIInChI=1S/C14H11N3O4/c1-8-6-13(17-20-8)15-14(19)11-7-12(21-16-11)9-2-4-10(18)5-3-9/h2-7,18H,1H3,(H,15,17,19)
InChIKeyYZGRGHHNOONHPJ-UHFFFAOYSA-N
XLogP2.60
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide (CID 135472763) is 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(O)cc3)on2)no1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YZGRGHHNOONHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-8-6-13(17-20-8)15-14(19)11-7-12(21-16-11)9-2-4-10(18)5-3-9/h2-7,18H,1H3,(H,15,17,19).
What are the key properties of 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide?
5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135472763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).