3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole

C18H18ClN3O2 — CID 151096655

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole
SMILESCOc1cccc2onc(N3CCN(c4ccccc4Cl)CC3)c12
InChIInChI=1S/C18H18ClN3O2/c1-23-15-7-4-8-16-17(15)18(20-24-16)22-11-9-21(10-12-22)14-6-3-2-5-13(14)19/h2-8H,9-12H2,1H3
InChIKeyMNGHJCNMZJJQSI-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.82
Rot. Bonds3

About 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole

3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole (PubChem CID 151096655) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole
PubChem CID151096655
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole
SMILESCOc1cccc2onc(N3CCN(c4ccccc4Cl)CC3)c12
InChIInChI=1S/C18H18ClN3O2/c1-23-15-7-4-8-16-17(15)18(20-24-16)22-11-9-21(10-12-22)14-6-3-2-5-13(14)19/h2-8H,9-12H2,1H3
InChIKeyMNGHJCNMZJJQSI-UHFFFAOYSA-N
XLogP3.82
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 46559839
3-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzoic acid
CID 136550037
6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 56689606
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752473
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 663361
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573947

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole (CID 151096655) is 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole is COc1cccc2onc(N3CCN(c4ccccc4Cl)CC3)c12.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole?
The InChIKey is MNGHJCNMZJJQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-23-15-7-4-8-16-17(15)18(20-24-16)22-11-9-21(10-12-22)14-6-3-2-5-13(14)19/h2-8H,9-12H2,1H3.
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole?
3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole has a molecular weight of 343.81 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole is sourced from PubChem (CID 151096655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).