[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone

C19H18N2O2 — CID 50849559

IUPAC[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCCCC1
InChIInChI=1S/C19H18N2O2/c22-19(21-12-4-1-5-13-21)15-10-8-14(9-11-15)18-20-16-6-2-3-7-17(16)23-18/h2-3,6-11H,1,4-5,12-13H2
InChIKeyWHYRAEGEUVLBCI-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.12
Rot. Bonds2

About [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone

[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone (PubChem CID 50849559) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
PubChem CID50849559
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCCCC1
InChIInChI=1S/C19H18N2O2/c22-19(21-12-4-1-5-13-21)15-10-8-14(9-11-15)18-20-16-6-2-3-7-17(16)23-18/h2-3,6-11H,1,4-5,12-13H2
InChIKeyWHYRAEGEUVLBCI-UHFFFAOYSA-N
XLogP4.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 32970266
(2S)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061123
1-(azepan-1-yl)-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]propan-1-one
CID 46378853
2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53103375
2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46378855
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
cyclopropyl-[4-[4-(6-fluoro-1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]methanone
CID 123320554
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
[4-[3-(1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]-[3-(4,5-dihydro-1,3-benzoxazol-2-yl)phenyl]methanone
CID 148848615
azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 8869673
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone (CID 50849559) is [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCCCC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is WHYRAEGEUVLBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(21-12-4-1-5-13-21)15-10-8-14(9-11-15)18-20-16-6-2-3-7-17(16)23-18/h2-3,6-11H,1,4-5,12-13H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone?
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50849559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).