2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide

C17H16N2O3 — CID 9467401

IUPAC2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cc(C)oc3C)on2)cc1
InChIInChI=1S/C17H16N2O3/c1-10-4-6-13(7-5-10)15-9-16(22-19-15)18-17(20)14-8-11(2)21-12(14)3/h4-9H,1-3H3,(H,18,20)
InChIKeyCRHCSZKUSQUOLH-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.11
Rot. Bonds3

About 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide

2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide (PubChem CID 9467401) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide
PubChem CID9467401
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cc(C)oc3C)on2)cc1
InChIInChI=1S/C17H16N2O3/c1-10-4-6-13(7-5-10)15-9-16(22-19-15)18-17(20)14-8-11(2)21-12(14)3/h4-9H,1-3H3,(H,18,20)
InChIKeyCRHCSZKUSQUOLH-UHFFFAOYSA-N
XLogP4.11
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide (CID 9467401) is 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide is Cc1ccc(-c2cc(NC(=O)c3cc(C)oc3C)on2)cc1.
What is the InChIKey of 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide?
The InChIKey is CRHCSZKUSQUOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-4-6-13(7-5-10)15-9-16(22-19-15)18-17(20)14-8-11(2)21-12(14)3/h4-9H,1-3H3,(H,18,20).
What are the key properties of 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide?
2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide is sourced from PubChem (CID 9467401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).