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

C20H14FN3O2 — CID 137434606

IUPACN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide
SMILESCc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1ncco1
InChIInChI=1S/C20H14FN3O2/c1-12-10-13(2-5-16(12)24-19(25)20-22-8-9-26-20)17-6-3-14-11-15(21)4-7-18(14)23-17/h2-11H,1H3,(H,24,25)
InChIKeyJONHPTQTEFYMMX-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.59
Rot. Bonds3

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

N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide (PubChem CID 137434606) 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-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide
PubChem CID137434606
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC NameN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide
SMILESCc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1ncco1
InChIInChI=1S/C20H14FN3O2/c1-12-10-13(2-5-16(12)24-19(25)20-22-8-9-26-20)17-6-3-14-11-15(21)4-7-18(14)23-17/h2-11H,1H3,(H,24,25)
InChIKeyJONHPTQTEFYMMX-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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Related Compounds

US10660877, Example 700
CID 134329934
US10660877, Example 449
CID 134329386
US10660877, Example 699
CID 134330103
N-(4-ethylphenyl)-2-quinoxalin-2-yloxyacetamide
CID 2478759
2-(1,3-oxazol-2-ylmethylamino)-N-[[4-[5-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]methyl]acetamide
CID 122696105
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide
CID 137425098
2-[4-[(7-Fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
N-[(1R,3S)-3-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,3-oxazole-2-carboxamide
CID 167374613
8-(4,4-difluorocyclohexen-1-yl)-N-(1,3-oxazol-2-ylmethyl)quinoline-3-carboxamide
CID 169199608
ethane;N-[1-(1,3-oxazol-2-yl)ethyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199650
N-[1-(1,3-oxazol-2-yl)ethyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199651
ethane;N-(1,3-oxazol-2-ylmethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199762

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide (CID 137434606) is N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide is Cc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1ncco1.
What is the InChIKey of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is JONHPTQTEFYMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12-10-13(2-5-16(12)24-19(25)20-22-8-9-26-20)17-6-3-14-11-15(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-2-carboxamide?
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]-1,3-oxazole-2-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-2-carboxamide is sourced from PubChem (CID 137434606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).