2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone

C14H15NO3 — CID 62214070

IUPAC2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)C1CCCCO1
InChIInChI=1S/C14H15NO3/c16-11(13-7-3-4-8-17-13)9-14-15-10-5-1-2-6-12(10)18-14/h1-2,5-6,13H,3-4,7-9H2
InChIKeyFVMUPBGNERKSLQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.51
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone (PubChem CID 62214070) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
PubChem CID62214070
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)C1CCCCO1
InChIInChI=1S/C14H15NO3/c16-11(13-7-3-4-8-17-13)9-14-15-10-5-1-2-6-12(10)18-14/h1-2,5-6,13H,3-4,7-9H2
InChIKeyFVMUPBGNERKSLQ-UHFFFAOYSA-N
XLogP2.51
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
CID 62905162
2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone
CID 79757794
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825946
2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146038837
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
2-(1,3-benzoxazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 28934887
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
CID 61080279
2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 65099002

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone (CID 62214070) is 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone is O=C(Cc1nc2ccccc2o1)C1CCCCO1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone?
The InChIKey is FVMUPBGNERKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-11(13-7-3-4-8-17-13)9-14-15-10-5-1-2-6-12(10)18-14/h1-2,5-6,13H,3-4,7-9H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone is sourced from PubChem (CID 62214070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).