[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone

C15H18ClN3O2S — CID 110114565

IUPAC[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)no1
InChIInChI=1S/C15H18ClN3O2S/c1-3-10-8-11(18-21-10)13(20)19-6-4-15(2,5-7-19)14-17-9-12(16)22-14/h8-9H,3-7H2,1-2H3
InChIKeyMLUBEFAGRCDEFH-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.54
Rot. Bonds3

About [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone

[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (PubChem CID 110114565) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
PubChem CID110114565
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)no1
InChIInChI=1S/C15H18ClN3O2S/c1-3-10-8-11(18-21-10)13(20)19-6-4-15(2,5-7-19)14-17-9-12(16)22-14/h8-9H,3-7H2,1-2H3
InChIKeyMLUBEFAGRCDEFH-UHFFFAOYSA-N
XLogP3.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (CID 110114565) is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is CCc1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)no1.
What is the InChIKey of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The InChIKey is MLUBEFAGRCDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-10-8-11(18-21-10)13(20)19-6-4-15(2,5-7-19)14-17-9-12(16)22-14/h8-9H,3-7H2,1-2H3.
What are the key properties of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone has a molecular weight of 339.85 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110114565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).