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

C17H14N2O3 — CID 3237501

IUPAC4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14N2O3/c1-12-16(21-11-18-12)17(20)19-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20)
InChIKeyWJDVWBFBBORASH-UHFFFAOYSA-N
MW294.31 g/mol
LogP4.03
Rot. Bonds4

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

4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 3237501) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide
PubChem CID3237501
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H14N2O3/c1-12-16(21-11-18-12)17(20)19-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20)
InChIKeyWJDVWBFBBORASH-UHFFFAOYSA-N
XLogP4.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide (CID 3237501) is 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is WJDVWBFBBORASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-16(21-11-18-12)17(20)19-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20).
What are the key properties of 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 3237501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).