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

C20H16FN3O2S — CID 44824319

IUPAC3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12
InChIInChI=1S/C20H16FN3O2S/c1-11(2)22-19(25)13-10-15(16-8-5-9-27-16)23-20-17(13)18(24-26-20)12-6-3-4-7-14(12)21/h3-11H,1-2H3,(H,22,25)
InChIKeyBRCXCRSAPGCEHU-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.90
Rot. Bonds4

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

3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824319) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824319
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12
InChIInChI=1S/C20H16FN3O2S/c1-11(2)22-19(25)13-10-15(16-8-5-9-27-16)23-20-17(13)18(24-26-20)12-6-3-4-7-14(12)21/h3-11H,1-2H3,(H,22,25)
InChIKeyBRCXCRSAPGCEHU-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-(2-fluorophenyl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854979
3-(4-methylphenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315509
3-(2-fluorophenyl)-N,N-dimethyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824382
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18205156
N-[(2R)-1-methoxypropan-2-yl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 29418714
3-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94175732
N-[2-(dimethylamino)ethyl]-3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616121
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
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680769
3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315490
3-(2-fluorophenyl)-6-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824325
ethyl 2-[[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 44824405

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824319) is 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(C)NC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12.
What is the InChIKey of 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BRCXCRSAPGCEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-11(2)22-19(25)13-10-15(16-8-5-9-27-16)23-20-17(13)18(24-26-20)12-6-3-4-7-14(12)21/h3-11H,1-2H3,(H,22,25).
What are the key properties of 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).