1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one

C16H19NO2 — CID 82299964

IUPAC1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2oc(C3CCCCC3)nc2c1
InChIInChI=1S/C16H19NO2/c1-2-14(18)12-8-9-15-13(10-12)17-16(19-15)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3
InChIKeyMEZSFLYKCWZVLV-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.47
Rot. Bonds3

About 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one

1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one (PubChem CID 82299964) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
PubChem CID82299964
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2oc(C3CCCCC3)nc2c1
InChIInChI=1S/C16H19NO2/c1-2-14(18)12-8-9-15-13(10-12)17-16(19-15)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3
InChIKeyMEZSFLYKCWZVLV-UHFFFAOYSA-N
XLogP4.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
CID 82288409
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
CID 15750383
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-[2-(4-oxo-6-propanoyl-3,1-benzoxazin-2-yl)cyclohexyl]-6-propanoyl-3,1-benzoxazin-4-one
CID 18432298
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 176515559

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one (CID 82299964) is 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one is CCC(=O)c1ccc2oc(C3CCCCC3)nc2c1.
What is the InChIKey of 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one?
The InChIKey is MEZSFLYKCWZVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-14(18)12-8-9-15-13(10-12)17-16(19-15)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3.
What are the key properties of 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one?
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one has a molecular weight of 257.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one is sourced from PubChem (CID 82299964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).