6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one

C19H25NO3 — CID 155538849

IUPAC6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one
SMILESCCCCCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C19H25NO3/c1-2-3-7-12-20-16-11-10-15(13-17(16)23-19(20)22)18(21)14-8-5-4-6-9-14/h10-11,13-14H,2-9,12H2,1H3
InChIKeyUOLGZPLNZZHWMB-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.55
Rot. Bonds6

About 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one

6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one (PubChem CID 155538849) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one
PubChem CID155538849
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one
SMILESCCCCCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C19H25NO3/c1-2-3-7-12-20-16-11-10-15(13-17(16)23-19(20)22)18(21)14-8-5-4-6-9-14/h10-11,13-14H,2-9,12H2,1H3
InChIKeyUOLGZPLNZZHWMB-UHFFFAOYSA-N
XLogP4.55
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one (CID 155538849) is 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one is CCCCCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21.
What is the InChIKey of 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one?
The InChIKey is UOLGZPLNZZHWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-7-12-20-16-11-10-15(13-17(16)23-19(20)22)18(21)14-8-5-4-6-9-14/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one?
6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one has a molecular weight of 315.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonyl)-3-pentyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 155538849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).