[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C18H17FN4O4 — CID 91920648

IUPAC[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4O4/c1-11-16(26-10-20-11)18(24)23-8-2-3-14(23)17-21-15(27-22-17)9-25-13-6-4-12(19)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3
InChIKeyDDPQKAKCKNGAJH-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.06
Rot. Bonds5

About [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 91920648) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID91920648
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4O4/c1-11-16(26-10-20-11)18(24)23-8-2-3-14(23)17-21-15(27-22-17)9-25-13-6-4-12(19)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3
InChIKeyDDPQKAKCKNGAJH-UHFFFAOYSA-N
XLogP3.06
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 91920649
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91909905
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124986452
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124993727
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124950827
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70704985
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 91920648) is [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCCC1c1noc(COc2ccc(F)cc2)n1.
What is the InChIKey of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is DDPQKAKCKNGAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-11-16(26-10-20-11)18(24)23-8-2-3-14(23)17-21-15(27-22-17)9-25-13-6-4-12(19)5-7-13/h4-7,10,14H,2-3,8-9H2,1H3.
What are the key properties of [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 372.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 91920648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).