3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole

C15H17ClN2O2 — CID 59556697

IUPAC3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2noc(C3CCC3)n2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-9(2)19-13-7-6-11(8-12(13)16)14-17-15(20-18-14)10-4-3-5-10/h6-10H,3-5H2,1-2H3
InChIKeyQIAKSNLDCJBKLI-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.44
Rot. Bonds4

About 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole

3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole (PubChem CID 59556697) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole
PubChem CID59556697
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2noc(C3CCC3)n2)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-9(2)19-13-7-6-11(8-12(13)16)14-17-15(20-18-14)10-4-3-5-10/h6-10H,3-5H2,1-2H3
InChIKeyQIAKSNLDCJBKLI-UHFFFAOYSA-N
XLogP4.44
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 68768371
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(2H-pyrrol-5-yl)-1,2,4-oxadiazole
CID 71094123
5-[4-(azetidin-1-ylmethyl)phenyl]-3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 141206756
cis-(1R,2S)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylic acid
CID 53246676
3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751751
methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate
CID 67234551
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 68771112
3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole
CID 59556738
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
trans-(1S,2S)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylic acid;trans-(1R,2R)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylic acid;trans-methyl (1S,2S)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylate;trans-methyl (1R,2R)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylate
CID 159467617

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole (CID 59556697) is 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole is CC(C)Oc1ccc(-c2noc(C3CCC3)n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole?
The InChIKey is QIAKSNLDCJBKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)19-13-7-6-11(8-12(13)16)14-17-15(20-18-14)10-4-3-5-10/h6-10H,3-5H2,1-2H3.
What are the key properties of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole?
3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole has a molecular weight of 292.77 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole is sourced from PubChem (CID 59556697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).