5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole

C24H19FN4O2 — CID 91566963

IUPAC5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole
SMILESCOc1cccc(-c2nc3c(-c4ccc(-c5cnc(C)o5)nc4)cc(F)cc3n2C)c1
InChIInChI=1S/C24H19FN4O2/c1-14-26-13-22(31-14)20-8-7-16(12-27-20)19-10-17(25)11-21-23(19)28-24(29(21)2)15-5-4-6-18(9-15)30-3/h4-13H,1-3H3
InChIKeyLLIFQLBJWVLCSX-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.41
Rot. Bonds4

About 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole

5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole (PubChem CID 91566963) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole
PubChem CID91566963
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole
SMILESCOc1cccc(-c2nc3c(-c4ccc(-c5cnc(C)o5)nc4)cc(F)cc3n2C)c1
InChIInChI=1S/C24H19FN4O2/c1-14-26-13-22(31-14)20-8-7-16(12-27-20)19-10-17(25)11-21-23(19)28-24(29(21)2)15-5-4-6-18(9-15)30-3/h4-13H,1-3H3
InChIKeyLLIFQLBJWVLCSX-UHFFFAOYSA-N
XLogP5.41
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Serabelisib
CID 70798655
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
3-ethoxy-N-(2-methyl-3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)benzamide
CID 1216135
methyl N-[3-(1H-indol-4-yl)-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 15603280
2-[4-[[4-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]phenyl]-1,3-benzoxazole
CID 53307788
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 53360055
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
1-[4-(1,3-Benzoxazol-2-yl)piperidin-1-yl]-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]ethanone
CID 59472771
2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-benzoxazol-4-amine
CID 66679503
7-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235249
6-chloro-2-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235253
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412

Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole (CID 91566963) is 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole is COc1cccc(-c2nc3c(-c4ccc(-c5cnc(C)o5)nc4)cc(F)cc3n2C)c1.
What is the InChIKey of 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole?
The InChIKey is LLIFQLBJWVLCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-14-26-13-22(31-14)20-8-7-16(12-27-20)19-10-17(25)11-21-23(19)28-24(29(21)2)15-5-4-6-18(9-15)30-3/h4-13H,1-3H3.
What are the key properties of 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole?
5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole has a molecular weight of 414.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-fluoro-2-(3-methoxyphenyl)-1-methylbenzimidazol-4-yl]-2-pyridinyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 91566963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).