[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone

C22H17Cl2N3O3S — CID 5182515

IUPAC[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(c2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)CC1
InChIInChI=1S/C22H17Cl2N3O3S/c23-16-2-1-14(9-17(16)24)18-10-20(30-26-18)19-12-31-21(25-19)13-3-6-27(7-4-13)22(28)15-5-8-29-11-15/h1-2,5,8-13H,3-4,6-7H2
InChIKeyCJGQGPQKVIPECL-UHFFFAOYSA-N
MW474.37 g/mol
LogP6.38
Rot. Bonds4

About [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone

[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 5182515) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID5182515
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC Name[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(c2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)CC1
InChIInChI=1S/C22H17Cl2N3O3S/c23-16-2-1-14(9-17(16)24)18-10-20(30-26-18)19-12-31-21(25-19)13-3-6-27(7-4-13)22(28)15-5-8-29-11-15/h1-2,5,8-13H,3-4,6-7H2
InChIKeyCJGQGPQKVIPECL-UHFFFAOYSA-N
XLogP6.38
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.37
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(4,5-dichloro-1,2-thiazol-3-yl)methanone
CID 23987439
[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3703071
(2,3-dichloro-4-hydroxy-5-methoxyphenyl)-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23736318
N-cyclopentyl-4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidine-1-carbothioamide
CID 3861090
N-(5-chloro-2,4-dimethoxyphenyl)-4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 3783475
3-[3-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3669581
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3839677
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4,5-dichloro-1,2-thiazol-3-yl)methanone
CID 3872371
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3800753
[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(furan-3-yl)methanone
CID 53179842
3-(3,4-dichlorophenyl)-5-[2-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 3766322
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3688431

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone (CID 5182515) is [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(c2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)CC1.
What is the InChIKey of [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is CJGQGPQKVIPECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c23-16-2-1-14(9-17(16)24)18-10-20(30-26-18)19-12-31-21(25-19)13-3-6-27(7-4-13)22(28)15-5-8-29-11-15/h1-2,5,8-13H,3-4,6-7H2.
What are the key properties of [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 474.37 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 5182515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).