2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide

C17H14N2O4 — CID 71865394

IUPAC2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C17H14N2O4/c1-10-6-15(20)23-11(2)16(10)17(21)19-13-5-3-4-12(7-13)14-8-18-9-22-14/h3-9H,1-2H3,(H,19,21)
InChIKeyDRHSPXZVJMOWJS-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.16
Rot. Bonds3

About 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide

2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide (PubChem CID 71865394) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
PubChem CID71865394
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C17H14N2O4/c1-10-6-15(20)23-11(2)16(10)17(21)19-13-5-3-4-12(7-13)14-8-18-9-22-14/h3-9H,1-2H3,(H,19,21)
InChIKeyDRHSPXZVJMOWJS-UHFFFAOYSA-N
XLogP3.16
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
4-amino-1-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 61102969
N-[3-(1,3-oxazol-5-yl)phenyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337290
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 55833213
5-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 47265686
2-chloro-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 61041502
N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699336
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide (CID 71865394) is 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide?
The InChIKey is DRHSPXZVJMOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-6-15(20)23-11(2)16(10)17(21)19-13-5-3-4-12(7-13)14-8-18-9-22-14/h3-9H,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide?
2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 71865394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).