[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

C22H20N4O2 — CID 51119873

IUPAC[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C22H20N4O2/c27-22(17-8-1-3-10-19(17)26-14-6-12-23-26)25-13-5-7-16(15-25)21-24-18-9-2-4-11-20(18)28-21/h1-4,6,8-12,14,16H,5,7,13,15H2
InChIKeyVIUJRMPAEUAVQK-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.03
Rot. Bonds3

About [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 51119873) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID51119873
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C22H20N4O2/c27-22(17-8-1-3-10-19(17)26-14-6-12-23-26)25-13-5-7-16(15-25)21-24-18-9-2-4-11-20(18)28-21/h1-4,6,8-12,14,16H,5,7,13,15H2
InChIKeyVIUJRMPAEUAVQK-UHFFFAOYSA-N
XLogP4.03
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 77092250
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 99937856
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 78873543
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 139599749
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 118792880
1-[5-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 38316652
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 51119873) is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is O=C(c1ccccc1-n1cccn1)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is VIUJRMPAEUAVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22(17-8-1-3-10-19(17)26-14-6-12-23-26)25-13-5-7-16(15-25)21-24-18-9-2-4-11-20(18)28-21/h1-4,6,8-12,14,16H,5,7,13,15H2.
What are the key properties of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 372.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 51119873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).