5-propyl-1,3-benzoxazol-2-amine

C10H12N2O — CID 62548389

IUPAC5-propyl-1,3-benzoxazol-2-amine
SMILESCCCc1ccc2oc(N)nc2c1
InChIInChI=1S/C10H12N2O/c1-2-3-7-4-5-9-8(6-7)12-10(11)13-9/h4-6H,2-3H2,1H3,(H2,11,12)
InChIKeyJSWJQBTZOKANPU-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.36
Rot. Bonds2

About 5-propyl-1,3-benzoxazol-2-amine

5-propyl-1,3-benzoxazol-2-amine (PubChem CID 62548389) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-propyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-propyl-1,3-benzoxazol-2-amine
PubChem CID62548389
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-propyl-1,3-benzoxazol-2-amine
SMILESCCCc1ccc2oc(N)nc2c1
InChIInChI=1S/C10H12N2O/c1-2-3-7-4-5-9-8(6-7)12-10(11)13-9/h4-6H,2-3H2,1H3,(H2,11,12)
InChIKeyJSWJQBTZOKANPU-UHFFFAOYSA-N
XLogP2.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-propyl-1,3-benzoxazol-2-amine (CID 62548389) is 5-propyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-propyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-propyl-1,3-benzoxazol-2-amine is CCCc1ccc2oc(N)nc2c1.
What is the InChIKey of 5-propyl-1,3-benzoxazol-2-amine?
The InChIKey is JSWJQBTZOKANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-3-7-4-5-9-8(6-7)12-10(11)13-9/h4-6H,2-3H2,1H3,(H2,11,12).
What are the key properties of 5-propyl-1,3-benzoxazol-2-amine?
5-propyl-1,3-benzoxazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 62548389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).