2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole

C16H16N4O — CID 24805905

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
SMILESc1ccc(N2CCN(c3nc4ccccc4o3)CC2)nc1
InChIInChI=1S/C16H16N4O/c1-2-6-14-13(5-1)18-16(21-14)20-11-9-19(10-12-20)15-7-3-4-8-17-15/h1-8H,9-12H2
InChIKeySUCZGRSGFMGTLC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.55
Rot. Bonds2

About 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole

2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 24805905) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
PubChem CID24805905
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
SMILESc1ccc(N2CCN(c3nc4ccccc4o3)CC2)nc1
InChIInChI=1S/C16H16N4O/c1-2-6-14-13(5-1)18-16(21-14)20-11-9-19(10-12-20)15-7-3-4-8-17-15/h1-8H,9-12H2
InChIKeySUCZGRSGFMGTLC-UHFFFAOYSA-N
XLogP2.55
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]-1,3-benzoxazole
CID 163357159
2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154581141
5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126893682
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
7,10-bis(1,3-benzoxazol-2-yl)-1-oxa-4,13-dithia-7,10-diazacyclopentadecane
CID 15321742
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
2-[4-(4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]-1,3-benzoxazole
CID 163352457
2-[4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 139023625
3-(1,3-benzoxazol-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133279330
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
CID 70720553

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole (CID 24805905) is 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole is c1ccc(N2CCN(c3nc4ccccc4o3)CC2)nc1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole?
The InChIKey is SUCZGRSGFMGTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-6-14-13(5-1)18-16(21-14)20-11-9-19(10-12-20)15-7-3-4-8-17-15/h1-8H,9-12H2.
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole?
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 280.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 24805905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).