2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole

C18H20N4O2 — CID 163352202

IUPAC2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C18H20N4O2/c1-23-17-7-6-14(12-19-17)13-21-8-10-22(11-9-21)18-20-15-4-2-3-5-16(15)24-18/h2-7,12H,8-11,13H2,1H3
InChIKeyLWEBCJQFRBDKRG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.55
Rot. Bonds4

About 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole

2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole (PubChem CID 163352202) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
PubChem CID163352202
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESCOc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C18H20N4O2/c1-23-17-7-6-14(12-19-17)13-21-8-10-22(11-9-21)18-20-15-4-2-3-5-16(15)24-18/h2-7,12H,8-11,13H2,1H3
InChIKeyLWEBCJQFRBDKRG-UHFFFAOYSA-N
XLogP2.55
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1,3-benzoxazole
CID 75410516
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 172881764
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 131923933
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole (CID 163352202) is 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole is COc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cn1.
What is the InChIKey of 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is LWEBCJQFRBDKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-23-17-7-6-14(12-19-17)13-21-8-10-22(11-9-21)18-20-15-4-2-3-5-16(15)24-18/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 324.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 163352202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).