3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C17H14N2O2S — CID 5309383

IUPAC3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCCc2ccccc21
InChIInChI=1S/C17H14N2O2S/c20-17(13-11-15(21-18-13)16-8-4-10-22-16)19-9-3-6-12-5-1-2-7-14(12)19/h1-2,4-5,7-8,10-11H,3,6,9H2
InChIKeyQJSFDGGWWSYVEN-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.00
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 5309383) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID5309383
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCCc2ccccc21
InChIInChI=1S/C17H14N2O2S/c20-17(13-11-15(21-18-13)16-8-4-10-22-16)19-9-3-6-12-5-1-2-7-14(12)19/h1-2,4-5,7-8,10-11H,3,6,9H2
InChIKeyQJSFDGGWWSYVEN-UHFFFAOYSA-N
XLogP4.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N-(3-acetylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 17253076
4-{[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 3242386
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
Benzo[d]isoxazole-3-carboxylic acid {4-[4-(6-fluoro-benzo[b]thiophen-3-yl)-piperazin-1-yl]-butyl}-methyl-amide
CID 9981993
N-(4-ethylphenyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 15988671
N-(3-chloro-2-methylphenyl)(5-(2-thienyl)isoxazol-3-yl)carboxamide
CID 15988683
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(5-methyl-2-thienyl)piperazin-2-one
CID 60141675
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(2-thienyl)piperazin-2-one
CID 68158201
(3S,6S)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(3-thienyl)piperazin-2-one
CID 68158560

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 5309383) is 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is QJSFDGGWWSYVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-17(13-11-15(21-18-13)16-8-4-10-22-16)19-9-3-6-12-5-1-2-7-14(12)19/h1-2,4-5,7-8,10-11H,3,6,9H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 310.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 5309383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).