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

C19H14FN3O2 — CID 52531541

IUPAC(5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H14FN3O2/c20-14-5-1-3-12(9-14)17-11-18(25-23-17)19(24)22-15-6-7-16-13(10-15)4-2-8-21-16/h1-10,18H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyILDZNFQCJQODQZ-SFHVURJKSA-N
MW335.34 g/mol
LogP3.51
Rot. Bonds3

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

(5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 52531541) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID52531541
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name(5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H14FN3O2/c20-14-5-1-3-12(9-14)17-11-18(25-23-17)19(24)22-15-6-7-16-13(10-15)4-2-8-21-16/h1-10,18H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyILDZNFQCJQODQZ-SFHVURJKSA-N
XLogP3.51
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427997
N-(6-chloroquinolin-8-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071847
(5S)-3-(3-fluorophenyl)-N-(2-pyridin-2-ylsulfanyl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52538385
N-(3,4-diethoxyphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46436237
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
3-(3-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51132367
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55799770
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 52531541) is (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc2ncccc2c1)[C@@H]1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ILDZNFQCJQODQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-14-5-1-3-12(9-14)17-11-18(25-23-17)19(24)22-15-6-7-16-13(10-15)4-2-8-21-16/h1-10,18H,11H2,(H,22,24)/t18-/m0/s1.
What are the key properties of (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-fluorophenyl)-N-quinolin-6-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 52531541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).