N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide

C20H14FN3O2 — CID 137425098

IUPACN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1cocn1
InChIInChI=1S/C20H14FN3O2/c1-12-8-13(2-5-16(12)24-20(25)19-10-26-11-22-19)17-6-3-14-9-15(21)4-7-18(14)23-17/h2-11H,1H3,(H,24,25)
InChIKeyIQQQBNQOIQBWCQ-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.59
Rot. Bonds3

About N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide

N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide (PubChem CID 137425098) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide
PubChem CID137425098
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC NameN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1cocn1
InChIInChI=1S/C20H14FN3O2/c1-12-8-13(2-5-16(12)24-20(25)19-10-26-11-22-19)17-6-3-14-9-15(21)4-7-18(14)23-17/h2-11H,1H3,(H,24,25)
InChIKeyIQQQBNQOIQBWCQ-UHFFFAOYSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide (CID 137425098) is N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide is Cc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1cocn1.
What is the InChIKey of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IQQQBNQOIQBWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12-8-13(2-5-16(12)24-20(25)19-10-26-11-22-19)17-6-3-14-9-15(21)4-7-18(14)23-17/h2-11H,1H3,(H,24,25).
What are the key properties of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide?
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 137425098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).