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

C18H20ClN3O2 — CID 56818335

IUPAC5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCc1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)oc1C
InChIInChI=1S/C18H20ClN3O2/c1-11-12(2)23-17(20-11)10-22-7-5-13(6-8-22)18-21-15-9-14(19)3-4-16(15)24-18/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyPSBYMPXBHVICHQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.47
Rot. Bonds3

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

5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole (PubChem CID 56818335) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
PubChem CID56818335
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCc1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)oc1C
InChIInChI=1S/C18H20ClN3O2/c1-11-12(2)23-17(20-11)10-22-7-5-13(6-8-22)18-21-15-9-14(19)3-4-16(15)24-18/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyPSBYMPXBHVICHQ-UHFFFAOYSA-N
XLogP4.47
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.47
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole (CID 56818335) is 5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole is Cc1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)oc1C.
What is the InChIKey of 5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is PSBYMPXBHVICHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-12(2)23-17(20-11)10-22-7-5-13(6-8-22)18-21-15-9-14(19)3-4-16(15)24-18/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of 5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole?
5-chloro-2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 345.83 g/mol, XLogP of 4.47, 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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 56818335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).