5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole

C15H17FN2O3 — CID 155523809

IUPAC5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
SMILESFc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
InChIInChI=1S/C15H17FN2O3/c16-11-3-5-13(6-4-11)19-10-14-8-15(18-21-14)20-9-12-2-1-7-17-12/h3-6,8,12,17H,1-2,7,9-10H2/t12-/m0/s1
InChIKeyOZYGJEGVGFEUMA-LBPRGKRZSA-N
MW292.31 g/mol
LogP2.52
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole

5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole (PubChem CID 155523809) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
PubChem CID155523809
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
SMILESFc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
InChIInChI=1S/C15H17FN2O3/c16-11-3-5-13(6-4-11)19-10-14-8-15(18-21-14)20-9-12-2-1-7-17-12/h3-6,8,12,17H,1-2,7,9-10H2/t12-/m0/s1
InChIKeyOZYGJEGVGFEUMA-LBPRGKRZSA-N
XLogP2.52
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazole
CID 71457513
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole
CID 175141401
5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-2-yloxymethyl)-1,2-oxazole
CID 175141962
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole (CID 155523809) is 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole is Fc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
The InChIKey is OZYGJEGVGFEUMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-11-3-5-13(6-4-11)19-10-14-8-15(18-21-14)20-9-12-2-1-7-17-12/h3-6,8,12,17H,1-2,7,9-10H2/t12-/m0/s1.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole has a molecular weight of 292.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole is sourced from PubChem (CID 155523809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).