2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone

C14H15NO3 — CID 62905162

IUPAC2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)C1CCOCC1
InChIInChI=1S/C14H15NO3/c16-12(10-5-7-17-8-6-10)9-14-15-11-3-1-2-4-13(11)18-14/h1-4,10H,5-9H2
InChIKeyIJYXNPDPIFFGRM-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.37
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone (PubChem CID 62905162) 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-4-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
PubChem CID62905162
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)C1CCOCC1
InChIInChI=1S/C14H15NO3/c16-12(10-5-7-17-8-6-10)9-14-15-11-3-1-2-4-13(11)18-14/h1-4,10H,5-9H2
InChIKeyIJYXNPDPIFFGRM-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
CID 62214070
2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825946
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
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
1-(oxan-4-yl)-2-pyrimidin-2-ylethanone
CID 116833106
2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146038837
2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide
CID 45214897
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone (CID 62905162) is 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone is O=C(Cc1nc2ccccc2o1)C1CCOCC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone?
The InChIKey is IJYXNPDPIFFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(10-5-7-17-8-6-10)9-14-15-11-3-1-2-4-13(11)18-14/h1-4,10H,5-9H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.37, 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-4-yl)ethanone is sourced from PubChem (CID 62905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).