3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C19H20N4O3 — CID 124954995

IUPAC3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1
InChIInChI=1S/C19H20N4O3/c1-13-9-20-10-15(21-13)14-5-4-8-22(11-14)18(24)12-23-16-6-2-3-7-17(16)26-19(23)25/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3/t14-/m1/s1
InChIKeyFGNZOVXFNMXBPA-CQSZACIVSA-N
MW352.39 g/mol
LogP2.10
Rot. Bonds3

About 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 124954995) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID124954995
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1
InChIInChI=1S/C19H20N4O3/c1-13-9-20-10-15(21-13)14-5-4-8-22(11-14)18(24)12-23-16-6-2-3-7-17(16)26-19(23)25/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3/t14-/m1/s1
InChIKeyFGNZOVXFNMXBPA-CQSZACIVSA-N
XLogP2.10
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124958322
3-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124951963
3-methyl-5-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124991358
1-[2-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 127246140
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 110102514
3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122268126
3-[2-oxo-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 125023822
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 100654309
3-[2-oxo-2-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 99994008

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 124954995) is 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is Cc1cncc([C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1.
What is the InChIKey of 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is FGNZOVXFNMXBPA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-9-20-10-15(21-13)14-5-4-8-22(11-14)18(24)12-23-16-6-2-3-7-17(16)26-19(23)25/h2-3,6-7,9-10,14H,4-5,8,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 124954995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).