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

C14H15NO3 — CID 79757794

IUPAC2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone
SMILESCC1OCCC1C(=O)Cc1nc2ccccc2o1
InChIInChI=1S/C14H15NO3/c1-9-10(6-7-17-9)12(16)8-14-15-11-4-2-3-5-13(11)18-14/h2-5,9-10H,6-8H2,1H3
InChIKeyXMUCVAMOJOHWRW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.36
Rot. Bonds3

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

2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone (PubChem CID 79757794) 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-(2-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone
PubChem CID79757794
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone
SMILESCC1OCCC1C(=O)Cc1nc2ccccc2o1
InChIInChI=1S/C14H15NO3/c1-9-10(6-7-17-9)12(16)8-14-15-11-4-2-3-5-13(11)18-14/h2-5,9-10H,6-8H2,1H3
InChIKeyXMUCVAMOJOHWRW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825946
2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
CID 62905162
2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
CID 62214070
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
1-(1,3-benzoxazol-2-yl)-3-methylpentan-2-one
CID 43118363
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146038837
2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 79759578
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-one
CID 28934808

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone (CID 79757794) is 2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone is CC1OCCC1C(=O)Cc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone?
The InChIKey is XMUCVAMOJOHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-10(6-7-17-9)12(16)8-14-15-11-4-2-3-5-13(11)18-14/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.36, 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-(2-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 79757794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).