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

C19H17ClN2O2 — CID 42957516

IUPAC[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C19H17ClN2O2/c20-15-7-3-5-13(11-15)19(23)22-10-4-6-14(12-22)18-21-16-8-1-2-9-17(16)24-18/h1-3,5,7-9,11,14H,4,6,10,12H2
InChIKeyRKQWXDMEEFEXIA-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.50
Rot. Bonds2

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

[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 42957516) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
PubChem CID42957516
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(c2nc3ccccc3o2)C1
InChIInChI=1S/C19H17ClN2O2/c20-15-7-3-5-13(11-15)19(23)22-10-4-6-14(12-22)18-21-16-8-1-2-9-17(16)24-18/h1-3,5,7-9,11,14H,4,6,10,12H2
InChIKeyRKQWXDMEEFEXIA-UHFFFAOYSA-N
XLogP4.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)piperidin-1-yl]-(2-cyclopropyl-1,3-benzoxazol-6-yl)methanone
CID 45204088
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
7-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 55719034
1-[5-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 38316652
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[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]-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)methanone
CID 146080671
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 34738091
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone
CID 146075115
(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3912451
3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 99937856

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone (CID 42957516) is [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCCC(c2nc3ccccc3o2)C1.
What is the InChIKey of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is RKQWXDMEEFEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-15-7-3-5-13(11-15)19(23)22-10-4-6-14(12-22)18-21-16-8-1-2-9-17(16)24-18/h1-3,5,7-9,11,14H,4,6,10,12H2.
What are the key properties of [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone?
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 340.81 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 42957516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).