[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone

C19H16ClFN2O2 — CID 71849215

IUPAC[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCCCC1c1nc2ccccc2o1
InChIInChI=1S/C19H16ClFN2O2/c20-12-8-9-13(14(21)11-12)19(24)23-10-4-3-6-16(23)18-22-15-5-1-2-7-17(15)25-18/h1-2,5,7-9,11,16H,3-4,6,10H2
InChIKeyVNFRCAJARQRGLW-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.99
Rot. Bonds2

About [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone

[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone (PubChem CID 71849215) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone
PubChem CID71849215
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCCCC1c1nc2ccccc2o1
InChIInChI=1S/C19H16ClFN2O2/c20-12-8-9-13(14(21)11-12)19(24)23-10-4-3-6-16(23)18-22-15-5-1-2-7-17(15)25-18/h1-2,5,7-9,11,16H,3-4,6,10H2
InChIKeyVNFRCAJARQRGLW-UHFFFAOYSA-N
XLogP4.99
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-phenyl-
CID 70030
2-(4-Chlorophenyl)benzoxazole
CID 14355
3-(5-Chloro-2-benzoxazolyl)benzenamine
CID 721056
(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221950
(3-chlorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74222037
{4-[4-(1,3-Benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
CID 117631954
(3-chloro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 137637236
[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 137639643
Benzoxazole, 5-chloro-2-phenyl-
CID 773072
(4-(4-(6-Fluorobenzo[d]oxazol-2-yl)benzoyl)piperazin-1-yl)(1-hydroxycyclopropyl)methanone
CID 118621601
Benzoxazole, 2-(3,4-dichlorophenyl)-
CID 18485
2-(4-Chlorophenyl)-5-benzoxazolamine
CID 721064

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone (CID 71849215) is [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone is O=C(c1ccc(Cl)cc1F)N1CCCCC1c1nc2ccccc2o1.
What is the InChIKey of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is VNFRCAJARQRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c20-12-8-9-13(14(21)11-12)19(24)23-10-4-3-6-16(23)18-22-15-5-1-2-7-17(15)25-18/h1-2,5,7-9,11,16H,3-4,6,10H2.
What are the key properties of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone?
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 358.80 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 71849215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).