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

C14H19NO2 — CID 59379708

IUPAC5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)Cc1ccc2oc(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H19NO2/c1-9(2)7-11-5-6-13-12(8-11)15(10(3)4)14(16)17-13/h5-6,8-10H,7H2,1-4H3
InChIKeyAISRFTZQZFSROU-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.37
Rot. Bonds3

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

5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 59379708) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID59379708
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)Cc1ccc2oc(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H19NO2/c1-9(2)7-11-5-6-13-12(8-11)15(10(3)4)14(16)17-13/h5-6,8-10H,7H2,1-4H3
InChIKeyAISRFTZQZFSROU-UHFFFAOYSA-N
XLogP3.37
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one (CID 59379708) is 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)Cc1ccc2oc(=O)n(C(C)C)c2c1.
What is the InChIKey of 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is AISRFTZQZFSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)7-11-5-6-13-12(8-11)15(10(3)4)14(16)17-13/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one?
5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 59379708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).