4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

C20H20N2O4 — CID 170511383

IUPAC4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCc1ccon1
InChIInChI=1S/C20H20N2O4/c1-14-12-17(9-5-8-15-6-3-2-4-7-15)26-20(24)18(14)19(23)21-13-16-10-11-25-22-16/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23)
InChIKeyNQNDUPIXUKKBLQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.04
Rot. Bonds7

About 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 170511383) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
PubChem CID170511383
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCc1ccon1
InChIInChI=1S/C20H20N2O4/c1-14-12-17(9-5-8-15-6-3-2-4-7-15)26-20(24)18(14)19(23)21-13-16-10-11-25-22-16/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23)
InChIKeyNQNDUPIXUKKBLQ-UHFFFAOYSA-N
XLogP3.04
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502781
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170505311
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511764
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyran-3-carboxamide
CID 170502514
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
CID 170512006
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508635
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508998
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129
N-[3-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502643
4-methyl-6-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)pyran-2-one
CID 170512947
N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170509345

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (CID 170511383) is 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCc1ccon1.
What is the InChIKey of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
The InChIKey is NQNDUPIXUKKBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14-12-17(9-5-8-15-6-3-2-4-7-15)26-20(24)18(14)19(23)21-13-16-10-11-25-22-16/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23).
What are the key properties of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 170511383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).