5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine

C16H12FN5O — CID 91443049

IUPAC5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cc(-c2cncn2C)ncc1-c1nc2ccc(F)nc2o1
InChIInChI=1S/C16H12FN5O/c1-9-5-12(13-7-18-8-22(13)2)19-6-10(9)15-20-11-3-4-14(17)21-16(11)23-15/h3-8H,1-2H3
InChIKeyUEXDZWYBEDRAES-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.13
Rot. Bonds2

About 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine

5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 91443049) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID91443049
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cc(-c2cncn2C)ncc1-c1nc2ccc(F)nc2o1
InChIInChI=1S/C16H12FN5O/c1-9-5-12(13-7-18-8-22(13)2)19-6-10(9)15-20-11-3-4-14(17)21-16(11)23-15/h3-8H,1-2H3
InChIKeyUEXDZWYBEDRAES-UHFFFAOYSA-N
XLogP3.13
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

MK-3328
CID 44555286
N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11161778
3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
(4-Ethylpiperazin-1-yl)-[1-methyl-6-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]oxyindol-2-yl]methanone
CID 155591484
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 9550690
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
4-(6-PHENYL-OXAZOLO[5,4-b]PYRIDIN-2-YL)-1,4-DIAZA-BICYCLO[3.2.2]NONANE
CID 11162995
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 11371348
5-Fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44552725
5-Fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44552727
5-Fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44554966
5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-oxazolo[5,4-b]pyridine
CID 44555283

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine (CID 91443049) is 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine is Cc1cc(-c2cncn2C)ncc1-c1nc2ccc(F)nc2o1.
What is the InChIKey of 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is UEXDZWYBEDRAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c1-9-5-12(13-7-18-8-22(13)2)19-6-10(9)15-20-11-3-4-14(17)21-16(11)23-15/h3-8H,1-2H3.
What are the key properties of 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 309.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-methyl-6-(3-methylimidazol-4-yl)-3-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 91443049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).