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

C16H15N3O3 — CID 139007285

IUPAC[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCCCC1c1nc2ccccc2o1
InChIInChI=1S/C16H15N3O3/c20-16(12-8-10-21-18-12)19-9-4-3-6-13(19)15-17-11-5-1-2-7-14(11)22-15/h1-2,5,7-8,10,13H,3-4,6,9H2
InChIKeyNVKQGECFGQKJAW-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.18
Rot. Bonds2

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

[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 139007285) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID139007285
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCCCC1c1nc2ccccc2o1
InChIInChI=1S/C16H15N3O3/c20-16(12-8-10-21-18-12)19-9-4-3-6-13(19)15-17-11-5-1-2-7-14(11)22-15/h1-2,5,7-8,10,13H,3-4,6,9H2
InChIKeyNVKQGECFGQKJAW-UHFFFAOYSA-N
XLogP3.18
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 164629782
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 71849215
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 127483479
1-[2-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 71849209
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
1-[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 71849214
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110711
[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 29214805
[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 80666279
[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124566567
2-[(2R)-1-(2-nitrophenyl)piperidin-2-yl]-1,3-benzoxazole
CID 97084440
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 71917445

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 139007285) is [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CCCCC1c1nc2ccccc2o1.
What is the InChIKey of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is NVKQGECFGQKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-16(12-8-10-21-18-12)19-9-4-3-6-13(19)15-17-11-5-1-2-7-14(11)22-15/h1-2,5,7-8,10,13H,3-4,6,9H2.
What are the key properties of [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 297.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 139007285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).