4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide

C18H15N5O2 — CID 138585602

IUPAC4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide
SMILESCc1coc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)n1
InChIInChI=1S/C18H15N5O2/c1-11-9-25-18(21-11)17(24)22-16-6-14-5-12(3-4-13(14)7-20-16)15-8-19-10-23(15)2/h3-10H,1-2H3,(H,20,22,24)
InChIKeyLKNRUCGUWPPWTJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.18
Rot. Bonds3

About 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide

4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide (PubChem CID 138585602) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide
PubChem CID138585602
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide
SMILESCc1coc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)n1
InChIInChI=1S/C18H15N5O2/c1-11-9-25-18(21-11)17(24)22-16-6-14-5-12(3-4-13(14)7-20-16)15-8-19-10-23(15)2/h3-10H,1-2H3,(H,20,22,24)
InChIKeyLKNRUCGUWPPWTJ-UHFFFAOYSA-N
XLogP3.18
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide (CID 138585602) is 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide is Cc1coc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)n1.
What is the InChIKey of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide?
The InChIKey is LKNRUCGUWPPWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-9-25-18(21-11)17(24)22-16-6-14-5-12(3-4-13(14)7-20-16)15-8-19-10-23(15)2/h3-10H,1-2H3,(H,20,22,24).
What are the key properties of 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide?
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 138585602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).