5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole

C17H18ClN3OS — CID 51124361

IUPAC5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCc1ncc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)s1
InChIInChI=1S/C17H18ClN3OS/c1-11-19-9-14(23-11)10-21-6-4-12(5-7-21)17-20-15-8-13(18)2-3-16(15)22-17/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyLHXOUVBXAUIUMX-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.63
Rot. Bonds3

About 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole

5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole (PubChem CID 51124361) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
PubChem CID51124361
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCc1ncc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)s1
InChIInChI=1S/C17H18ClN3OS/c1-11-19-9-14(23-11)10-21-6-4-12(5-7-21)17-20-15-8-13(18)2-3-16(15)22-17/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyLHXOUVBXAUIUMX-UHFFFAOYSA-N
XLogP4.63
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole (CID 51124361) is 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole is Cc1ncc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)s1.
What is the InChIKey of 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is LHXOUVBXAUIUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-11-19-9-14(23-11)10-21-6-4-12(5-7-21)17-20-15-8-13(18)2-3-16(15)22-17/h2-3,8-9,12H,4-7,10H2,1H3.
What are the key properties of 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 347.87 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 51124361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).