N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen

C16H17N3O3 — CID 145219643

IUPACN-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen
SMILESCc1ccc(CNC(=O)n2c(=O)oc3cccnc32)cc1C.[H][H]
InChIInChI=1S/C16H15N3O3.H2/c1-10-5-6-12(8-11(10)2)9-18-15(20)19-14-13(22-16(19)21)4-3-7-17-14;/h3-8H,9H2,1-2H3,(H,18,20);1H
InChIKeyBJWKWNQBNKAUEQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.61
Rot. Bonds2

About N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen

N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 145219643) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen
PubChem CID145219643
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen
SMILESCc1ccc(CNC(=O)n2c(=O)oc3cccnc32)cc1C.[H][H]
InChIInChI=1S/C16H15N3O3.H2/c1-10-5-6-12(8-11(10)2)9-18-15(20)19-14-13(22-16(19)21)4-3-7-17-14;/h3-8H,9H2,1-2H3,(H,18,20);1H
InChIKeyBJWKWNQBNKAUEQ-UHFFFAOYSA-N
XLogP2.61
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen (CID 145219643) is N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen is Cc1ccc(CNC(=O)n2c(=O)oc3cccnc32)cc1C.[H][H].
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is BJWKWNQBNKAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3.H2/c1-10-5-6-12(8-11(10)2)9-18-15(20)19-14-13(22-16(19)21)4-3-7-17-14;/h3-8H,9H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen?
N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 299.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 145219643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).