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

C18H15N5O2 — CID 138585659

IUPAC2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)co1
InChIInChI=1S/C18H15N5O2/c1-11-21-15(9-25-11)18(24)22-17-6-14-5-12(3-4-13(14)7-20-17)16-8-19-10-23(16)2/h3-10H,1-2H3,(H,20,22,24)
InChIKeyOYDKZIRGQYZYPZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.18
Rot. Bonds3

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

2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide (PubChem CID 138585659) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
PubChem CID138585659
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)co1
InChIInChI=1S/C18H15N5O2/c1-11-21-15(9-25-11)18(24)22-17-6-14-5-12(3-4-13(14)7-20-17)16-8-19-10-23(16)2/h3-10H,1-2H3,(H,20,22,24)
InChIKeyOYDKZIRGQYZYPZ-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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Related Compounds

US10899753, Example 65
CID 151191720
N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 118538651
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138585654
2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585706
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138586401
US11814384, Example 184
CID 169077565
US10899753, Example 107
CID 146859558
ALP-POS-ced8ea4d-35
CID 156906612
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138586354
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(1,3-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396089
2-(1-methylpiperidin-4-yl)-N-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585585
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138585588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide (CID 138585659) is 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3cn2)co1.
What is the InChIKey of 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is OYDKZIRGQYZYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-21-15(9-25-11)18(24)22-17-6-14-5-12(3-4-13(14)7-20-17)16-8-19-10-23(16)2/h3-10H,1-2H3,(H,20,22,24).
What are the key properties of 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide?
2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-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 2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138585659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).