5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole

C14H18ClN3O2 — CID 171335686

IUPAC5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCOCCN1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-19-9-8-17-4-6-18(7-5-17)14-16-12-10-11(15)2-3-13(12)20-14/h2-3,10H,4-9H2,1H3
InChIKeyLCPCILAEIUTHCV-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.25
Rot. Bonds4

About 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole

5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 171335686) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID171335686
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESCOCCN1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-19-9-8-17-4-6-18(7-5-17)14-16-12-10-11(15)2-3-13(12)20-14/h2-3,10H,4-9H2,1H3
InChIKeyLCPCILAEIUTHCV-UHFFFAOYSA-N
XLogP2.25
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108776801
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 167081505
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
5-methoxy-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 154762657
5-chloro-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108775276
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole (CID 171335686) is 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole is COCCN1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is LCPCILAEIUTHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-19-9-8-17-4-6-18(7-5-17)14-16-12-10-11(15)2-3-13(12)20-14/h2-3,10H,4-9H2,1H3.
What are the key properties of 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole?
5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 295.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 171335686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).