4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole

C14H15FN2O — CID 115054030

IUPAC4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2CC2CCNC2)c1
InChIInChI=1S/C14H15FN2O/c15-12-3-1-2-11(7-12)13-9-17-18-14(13)6-10-4-5-16-8-10/h1-3,7,9-10,16H,4-6,8H2
InChIKeyQARBOYIHXUEUOG-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.63
Rot. Bonds3

About 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole

4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole (PubChem CID 115054030) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
PubChem CID115054030
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2CC2CCNC2)c1
InChIInChI=1S/C14H15FN2O/c15-12-3-1-2-11(7-12)13-9-17-18-14(13)6-10-4-5-16-8-10/h1-3,7,9-10,16H,4-6,8H2
InChIKeyQARBOYIHXUEUOG-UHFFFAOYSA-N
XLogP2.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115036737
4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 115053994
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 105423308
4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 115038784
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423523
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
5-bromo-4-(3-fluorophenyl)-1,2-oxazole
CID 84703029
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115036269
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole
CID 82666482
6-(pyrrolidin-3-ylmethyl)-1,2-benzoxazole
CID 84776800

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
The IUPAC name of 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole (CID 115054030) is 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole is Fc1cccc(-c2cnoc2CC2CCNC2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
The InChIKey is QARBOYIHXUEUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-12-3-1-2-11(7-12)13-9-17-18-14(13)6-10-4-5-16-8-10/h1-3,7,9-10,16H,4-6,8H2.
What are the key properties of 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole has a molecular weight of 246.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 115054030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).