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

C19H18ClN3O3 — CID 1457612

IUPAC(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)o1
InChIInChI=1S/C19H18ClN3O3/c1-12-4-9-16(25-12)17-21-18(26-22-17)14-3-2-10-23(11-14)19(24)13-5-7-15(20)8-6-13/h4-9,14H,2-3,10-11H2,1H3/t14-/m0/s1
InChIKeyAFWZWCFLKWMERJ-AWEZNQCLSA-N
MW371.82 g/mol
LogP4.31
Rot. Bonds3

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

(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 1457612) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID1457612
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)o1
InChIInChI=1S/C19H18ClN3O3/c1-12-4-9-16(25-12)17-21-18(26-22-17)14-3-2-10-23(11-14)19(24)13-5-7-15(20)8-6-13/h4-9,14H,2-3,10-11H2,1H3/t14-/m0/s1
InChIKeyAFWZWCFLKWMERJ-AWEZNQCLSA-N
XLogP4.31
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3226314
[(3R)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1457622
[(3R)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 1457577
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 3953724
[4-(5-methylfuran-2-yl)phenyl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118793305
[3,5-bis(trifluoromethyl)phenyl]-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3581674
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1457501
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 3226157

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 1457612) is (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)o1.
What is the InChIKey of (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is AFWZWCFLKWMERJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-4-9-16(25-12)17-21-18(26-22-17)14-3-2-10-23(11-14)19(24)13-5-7-15(20)8-6-13/h4-9,14H,2-3,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 371.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 1457612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).