2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole

C16H15ClN4O — CID 71978149

IUPAC2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole
SMILESClc1cncc(N2CCCC(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C16H15ClN4O/c17-14-8-18-9-15(20-14)21-7-3-4-11(10-21)16-19-12-5-1-2-6-13(12)22-16/h1-2,5-6,8-9,11H,3-4,7,10H2
InChIKeyONGFDLQRCHMZGV-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.66
Rot. Bonds2

About 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole

2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole (PubChem CID 71978149) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole
PubChem CID71978149
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole
SMILESClc1cncc(N2CCCC(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C16H15ClN4O/c17-14-8-18-9-15(20-14)21-7-3-4-11(10-21)16-19-12-5-1-2-6-13(12)22-16/h1-2,5-6,8-9,11H,3-4,7,10H2
InChIKeyONGFDLQRCHMZGV-UHFFFAOYSA-N
XLogP3.66
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide
CID 75376691
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
2-[(3S)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1,3-benzoxazole
CID 97221250
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4,5-dichloropyridazin-3-one
CID 47028629
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 38314468
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
CID 11689657
2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol
CID 91650166
(2S)-2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 94110566
3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole (CID 71978149) is 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole is Clc1cncc(N2CCCC(c3nc4ccccc4o3)C2)n1.
What is the InChIKey of 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole?
The InChIKey is ONGFDLQRCHMZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-14-8-18-9-15(20-14)21-7-3-4-11(10-21)16-19-12-5-1-2-6-13(12)22-16/h1-2,5-6,8-9,11H,3-4,7,10H2.
What are the key properties of 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole?
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole has a molecular weight of 314.78 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 71978149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).