4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole

C13H13FN2O — CID 105490713

IUPAC4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESFc1cccc(-c2coc(C3CCNC3)n2)c1
InChIInChI=1S/C13H13FN2O/c14-11-3-1-2-9(6-11)12-8-17-13(16-12)10-4-5-15-7-10/h1-3,6,8,10,15H,4-5,7H2
InChIKeyISMYGQQHRBFPAR-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.56
Rot. Bonds2

About 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole

4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 105490713) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID105490713
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESFc1cccc(-c2coc(C3CCNC3)n2)c1
InChIInChI=1S/C13H13FN2O/c14-11-3-1-2-9(6-11)12-8-17-13(16-12)10-4-5-15-7-10/h1-3,6,8,10,15H,4-5,7H2
InChIKeyISMYGQQHRBFPAR-UHFFFAOYSA-N
XLogP2.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 22248505
3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490831
4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole
CID 115049175
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84765750
4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84770649
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115033401
4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 115036792
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole (CID 105490713) is 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole is Fc1cccc(-c2coc(C3CCNC3)n2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is ISMYGQQHRBFPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-3-1-2-9(6-11)12-8-17-13(16-12)10-4-5-15-7-10/h1-3,6,8,10,15H,4-5,7H2.
What are the key properties of 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole?
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 232.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 105490713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).