(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C21H20FN3O2 — CID 95141474

IUPAC(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN3O2/c1-13-10-17(21(23)26)16-4-2-3-5-18(16)25(13)12-20-24-11-19(27-20)14-6-8-15(22)9-7-14/h2-9,11,13,17H,10,12H2,1H3,(H2,23,26)/t13-,17+/m0/s1
InChIKeyLQXVSFWLVKOMHI-SUMWQHHRSA-N
MW365.41 g/mol
LogP3.85
Rot. Bonds4

About (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 95141474) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID95141474
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN3O2/c1-13-10-17(21(23)26)16-4-2-3-5-18(16)25(13)12-20-24-11-19(27-20)14-6-8-15(22)9-7-14/h2-9,11,13,17H,10,12H2,1H3,(H2,23,26)/t13-,17+/m0/s1
InChIKeyLQXVSFWLVKOMHI-SUMWQHHRSA-N
XLogP3.85
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95576424
(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95584191
(2S,4R)-1-[(4-cyanophenyl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95146105
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-carboxamide
CID 8557110
(2R,4R)-1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100901258
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 17494209
(2R,4R)-2-methyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 100903784
2-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 42926233
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 9036895
(2S,4R)-2-methyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95576414
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95602167

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 95141474) is (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is LQXVSFWLVKOMHI-SUMWQHHRSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-13-10-17(21(23)26)16-4-2-3-5-18(16)25(13)12-20-24-11-19(27-20)14-6-8-15(22)9-7-14/h2-9,11,13,17H,10,12H2,1H3,(H2,23,26)/t13-,17+/m0/s1.
What are the key properties of (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 95141474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).