5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole

C10H15NO — CID 146635336

IUPAC5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole
SMILESCC(C)C1CCc2oncc2C1
InChIInChI=1S/C10H15NO/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-8H,3-5H2,1-2H3
InChIKeyXGESPNZNUREXQR-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.44
Rot. Bonds1

About 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole

5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole (PubChem CID 146635336) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole.

Molecular Properties

Compound Name5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole
PubChem CID146635336
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole
SMILESCC(C)C1CCc2oncc2C1
InChIInChI=1S/C10H15NO/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-8H,3-5H2,1-2H3
InChIKeyXGESPNZNUREXQR-UHFFFAOYSA-N
XLogP2.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole?
The IUPAC name of 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole (CID 146635336) is 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole.
What is the SMILES notation for 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole?
The canonical SMILES for 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole is CC(C)C1CCc2oncc2C1.
What is the InChIKey of 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole?
The InChIKey is XGESPNZNUREXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole?
5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole has a molecular weight of 165.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole is sourced from PubChem (CID 146635336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).