2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine

C14H19FN4O — CID 82167712

IUPAC2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2nc3cc(F)ccc3o2)CC1
InChIInChI=1S/C14H19FN4O/c1-10(9-16)18-4-6-19(7-5-18)14-17-12-8-11(15)2-3-13(12)20-14/h2-3,8,10H,4-7,9,16H2,1H3
InChIKeyRGJWYEJTPVYTTC-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.44
Rot. Bonds3

About 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine

2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 82167712) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID82167712
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2nc3cc(F)ccc3o2)CC1
InChIInChI=1S/C14H19FN4O/c1-10(9-16)18-4-6-19(7-5-18)14-17-12-8-11(15)2-3-13(12)20-14/h2-3,8,10H,4-7,9,16H2,1H3
InChIKeyRGJWYEJTPVYTTC-UHFFFAOYSA-N
XLogP1.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine (CID 82167712) is 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(c2nc3cc(F)ccc3o2)CC1.
What is the InChIKey of 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is RGJWYEJTPVYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-10(9-16)18-4-6-19(7-5-18)14-17-12-8-11(15)2-3-13(12)20-14/h2-3,8,10H,4-7,9,16H2,1H3.
What are the key properties of 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine?
2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 278.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82167712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).