3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide

C17H14N2O4 — CID 71802456

IUPAC3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)on1
InChIInChI=1S/C17H14N2O4/c1-21-16-11-15(23-19-16)17(20)18-12-7-9-14(10-8-12)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)
InChIKeyMNOWDSHENDZDSX-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.73
Rot. Bonds5

About 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide

3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 71802456) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID71802456
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)on1
InChIInChI=1S/C17H14N2O4/c1-21-16-11-15(23-19-16)17(20)18-12-7-9-14(10-8-12)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)
InChIKeyMNOWDSHENDZDSX-UHFFFAOYSA-N
XLogP3.73
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide (CID 71802456) is 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)on1.
What is the InChIKey of 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is MNOWDSHENDZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-21-16-11-15(23-19-16)17(20)18-12-7-9-14(10-8-12)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20).
What are the key properties of 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-phenoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).