5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole

C14H15FN2O — CID 71864980

IUPAC5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESFc1cccc(-c2cnc(CN3CCCC3)o2)c1
InChIInChI=1S/C14H15FN2O/c15-12-5-3-4-11(8-12)13-9-16-14(18-13)10-17-6-1-2-7-17/h3-5,8-9H,1-2,6-7,10H2
InChIKeyJFJQEAKWPHGVOC-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.08
Rot. Bonds3

About 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole

5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole (PubChem CID 71864980) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
PubChem CID71864980
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESFc1cccc(-c2cnc(CN3CCCC3)o2)c1
InChIInChI=1S/C14H15FN2O/c15-12-5-3-4-11(8-12)13-9-16-14(18-13)10-17-6-1-2-7-17/h3-5,8-9H,1-2,6-7,10H2
InChIKeyJFJQEAKWPHGVOC-UHFFFAOYSA-N
XLogP3.08
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Pyridine, 4-(5-phenyl-2-oxazolyl)-
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4-[2-(Pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
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3-Methyl-2,5-diphenyl-1,3-oxazol-3-ium
CID 2313868
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
2-Cyclohexyl-5-phenyloxazole
CID 87832
5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
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CID 52946272

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole (CID 71864980) is 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole is Fc1cccc(-c2cnc(CN3CCCC3)o2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The InChIKey is JFJQEAKWPHGVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-12-5-3-4-11(8-12)13-9-16-14(18-13)10-17-6-1-2-7-17/h3-5,8-9H,1-2,6-7,10H2.
What are the key properties of 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole has a molecular weight of 246.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 71864980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).