2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole

C17H13FN2O — CID 86217526

IUPAC2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2coc(-c3cnccc3C3CC3)n2)cc1
InChIInChI=1S/C17H13FN2O/c18-13-5-3-12(4-6-13)16-10-21-17(20-16)15-9-19-8-7-14(15)11-1-2-11/h3-11H,1-2H2
InChIKeySYIRKEKOGACAMR-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.42
Rot. Bonds3

About 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole

2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole (PubChem CID 86217526) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole
PubChem CID86217526
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2coc(-c3cnccc3C3CC3)n2)cc1
InChIInChI=1S/C17H13FN2O/c18-13-5-3-12(4-6-13)16-10-21-17(20-16)15-9-19-8-7-14(15)11-1-2-11/h3-11H,1-2H2
InChIKeySYIRKEKOGACAMR-UHFFFAOYSA-N
XLogP4.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 91215676
2,6-difluoro-4-(4-piperidin-4-yl-3-pyridinyl)phenol
CID 122186017
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 91570843
methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
CID 58119372
2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole
CID 90223933
5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 118225006
4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine
CID 70038300
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
1-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
CID 70982007

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole (CID 86217526) is 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole is Fc1ccc(-c2coc(-c3cnccc3C3CC3)n2)cc1.
What is the InChIKey of 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is SYIRKEKOGACAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-13-5-3-12(4-6-13)16-10-21-17(20-16)15-9-19-8-7-14(15)11-1-2-11/h3-11H,1-2H2.
What are the key properties of 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole?
2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 280.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-pyridinyl)-4-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 86217526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).