3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H14FN3O2S — CID 171315490

IUPAC3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H14FN3O2S/c1-2-9-22-19(25)14-11-15(16-4-3-10-27-16)23-20-17(14)18(24-26-20)12-5-7-13(21)8-6-12/h2-8,10-11H,1,9H2,(H,22,25)
InChIKeyFZOQWKWEGSYASP-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.67
Rot. Bonds5

About 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315490) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315490
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESC=CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H14FN3O2S/c1-2-9-22-19(25)14-11-15(16-4-3-10-27-16)23-20-17(14)18(24-26-20)12-5-7-13(21)8-6-12/h2-8,10-11H,1,9H2,(H,22,25)
InChIKeyFZOQWKWEGSYASP-UHFFFAOYSA-N
XLogP4.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616121
3-(4-methylphenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315509
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
3-(4-fluorophenyl)-N-(2-methoxyethyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824377
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24668528
3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824319
N-[(2S)-butan-2-yl]-3-(2-fluorophenyl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854979
N-ethyl-N-(4-fluorophenyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24596980
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999
3-(2-fluorophenyl)-N,N-dimethyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824382
(4-fluorophenyl) 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24592479
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315490) is 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is C=CCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FZOQWKWEGSYASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-2-9-22-19(25)14-11-15(16-4-3-10-27-16)23-20-17(14)18(24-26-20)12-5-7-13(21)8-6-12/h2-8,10-11H,1,9H2,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).