5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole

C15H19N3O2 — CID 86820417

IUPAC5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccc(OC3CCNC3)cc2)no1
InChIInChI=1S/C15H19N3O2/c1-10(2)15-17-14(18-20-15)11-3-5-12(6-4-11)19-13-7-8-16-9-13/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyDJMKTRBVAXLKJY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds4

About 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole

5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 86820417) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID86820417
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccc(OC3CCNC3)cc2)no1
InChIInChI=1S/C15H19N3O2/c1-10(2)15-17-14(18-20-15)11-3-5-12(6-4-11)19-13-7-8-16-9-13/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyDJMKTRBVAXLKJY-UHFFFAOYSA-N
XLogP2.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
5-[(2-chlorophenyl)methyl]-3-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
CID 99728157
3-(4-methylphenoxy)pyrrolidine
CID 18337173
3-[4-(oxan-4-yloxy)phenyl]-5-(1-phenylethyl)-1,2,4-oxadiazole
CID 126808388
(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119065515
3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
3-[4-(difluoromethyl)phenoxy]pyrrolidine
CID 115028194
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole (CID 86820417) is 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole is CC(C)c1nc(-c2ccc(OC3CCNC3)cc2)no1.
What is the InChIKey of 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is DJMKTRBVAXLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)15-17-14(18-20-15)11-3-5-12(6-4-11)19-13-7-8-16-9-13/h3-6,10,13,16H,7-9H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole?
5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86820417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).