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

C16H20ClN3O2S — CID 110114552

IUPAC[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)no1
InChIInChI=1S/C16H20ClN3O2S/c1-3-4-11-9-12(19-22-11)14(21)20-7-5-16(2,6-8-20)15-18-10-13(17)23-15/h9-10H,3-8H2,1-2H3
InChIKeyOQRCXORUBNDPSF-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.93
Rot. Bonds4

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

[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 110114552) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID110114552
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)no1
InChIInChI=1S/C16H20ClN3O2S/c1-3-4-11-9-12(19-22-11)14(21)20-7-5-16(2,6-8-20)15-18-10-13(17)23-15/h9-10H,3-8H2,1-2H3
InChIKeyOQRCXORUBNDPSF-UHFFFAOYSA-N
XLogP3.93
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 110114552) is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-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-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(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-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is OQRCXORUBNDPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-3-4-11-9-12(19-22-11)14(21)20-7-5-16(2,6-8-20)15-18-10-13(17)23-15/h9-10H,3-8H2,1-2H3.
What are the key properties of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 353.88 g/mol, XLogP of 3.93, 4 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-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110114552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).