(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C22H23N3O3 — CID 119065515

IUPAC(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCC(C)c1nc(-c2ccc(C(=O)N3CCC(Oc4ccccc4)C3)cc2)no1
InChIInChI=1S/C22H23N3O3/c1-15(2)21-23-20(24-28-21)16-8-10-17(11-9-16)22(26)25-13-12-19(14-25)27-18-6-4-3-5-7-18/h3-11,15,19H,12-14H2,1-2H3
InChIKeyYXFQHFNNXDIRCJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.15
Rot. Bonds5

About (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone

(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 119065515) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID119065515
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCC(C)c1nc(-c2ccc(C(=O)N3CCC(Oc4ccccc4)C3)cc2)no1
InChIInChI=1S/C22H23N3O3/c1-15(2)21-23-20(24-28-21)16-8-10-17(11-9-16)22(26)25-13-12-19(14-25)27-18-6-4-3-5-7-18/h3-11,15,19H,12-14H2,1-2H3
InChIKeyYXFQHFNNXDIRCJ-UHFFFAOYSA-N
XLogP4.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91915163
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126446490
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126446489
(2-fluorophenyl)-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
CID 146461668
pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
CID 146461674
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
CID 86820417
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
CID 91905542
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792

Frequently Asked Questions

What is the IUPAC name of (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 119065515) is (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone is CC(C)c1nc(-c2ccc(C(=O)N3CCC(Oc4ccccc4)C3)cc2)no1.
What is the InChIKey of (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is YXFQHFNNXDIRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(2)21-23-20(24-28-21)16-8-10-17(11-9-16)22(26)25-13-12-19(14-25)27-18-6-4-3-5-7-18/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 377.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 119065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).