(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C18H20ClN3O3 — CID 97435789

IUPAC(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1
InChIInChI=1S/C18H20ClN3O3/c19-15-3-1-13(2-4-15)18(23)22-8-5-12(6-9-22)17-20-16(21-25-17)14-7-10-24-11-14/h1-4,12,14H,5-11H2/t14-/m1/s1
InChIKeyDKMHGXTZLPTDCC-CQSZACIVSA-N
MW361.83 g/mol
LogP3.25
Rot. Bonds3

About (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 97435789) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID97435789
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1
InChIInChI=1S/C18H20ClN3O3/c19-15-3-1-13(2-4-15)18(23)22-8-5-12(6-9-22)17-20-16(21-25-17)14-7-10-24-11-14/h1-4,12,14H,5-11H2/t14-/m1/s1
InChIKeyDKMHGXTZLPTDCC-CQSZACIVSA-N
XLogP3.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91908029
(3-methoxyphenyl)-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 72899208
(6-methoxy-3-pyridinyl)-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918773
2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 97444084
2-methoxy-1-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 72887314
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
(4-chlorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 59347461
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420051
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 42760543
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 97435789) is (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is DKMHGXTZLPTDCC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-15-3-1-13(2-4-15)18(23)22-8-5-12(6-9-22)17-20-16(21-25-17)14-7-10-24-11-14/h1-4,12,14H,5-11H2/t14-/m1/s1.
What are the key properties of (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 361.83 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97435789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).