N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H13ClFN3O2 — CID 43071847

IUPACN-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc2cccnc12)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H13ClFN3O2/c20-13-7-12-4-2-6-22-18(12)16(9-13)23-19(25)17-10-15(24-26-17)11-3-1-5-14(21)8-11/h1-9,17H,10H2,(H,23,25)
InChIKeySOCKPRHDXKSMOY-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.16
Rot. Bonds3

About N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 43071847) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID43071847
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC NameN-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc2cccnc12)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H13ClFN3O2/c20-13-7-12-4-2-6-22-18(12)16(9-13)23-19(25)17-10-15(24-26-17)11-3-1-5-14(21)8-11/h1-9,17H,10H2,(H,23,25)
InChIKeySOCKPRHDXKSMOY-UHFFFAOYSA-N
XLogP4.16
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427536
N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427461
(5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52531541
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
methyl 4-fluoro-3-[[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]benzoate
CID 51873768
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
(5S)-3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51940815
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
(5S)-3-(3-fluorophenyl)-N-(2-pyridin-2-ylsulfanyl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52538385
3-(3-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071660

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 43071847) is N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cc(Cl)cc2cccnc12)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SOCKPRHDXKSMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c20-13-7-12-4-2-6-22-18(12)16(9-13)23-19(25)17-10-15(24-26-17)11-3-1-5-14(21)8-11/h1-9,17H,10H2,(H,23,25).
What are the key properties of N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 369.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43071847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).