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

C18H16N2O3 — CID 3238135

IUPAC2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C18H16N2O3/c1-12-17(22-13(2)19-12)18(21)20-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21)
InChIKeyBOJZANBINRRYGV-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.34
Rot. Bonds4

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

2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 3238135) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide
PubChem CID3238135
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C18H16N2O3/c1-12-17(22-13(2)19-12)18(21)20-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21)
InChIKeyBOJZANBINRRYGV-UHFFFAOYSA-N
XLogP4.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide (CID 3238135) is 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1.
What is the InChIKey of 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is BOJZANBINRRYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-17(22-13(2)19-12)18(21)20-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 3238135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).