2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine

C14H18N2O — CID 84693601

IUPAC2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2oc(C3CCC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-9(8-15)11-5-6-13-12(7-11)16-14(17-13)10-3-2-4-10/h5-7,9-10H,2-4,8,15H2,1H3
InChIKeyPGSOAXLAQNDPNM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.16
Rot. Bonds3

About 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine

2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine (PubChem CID 84693601) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
PubChem CID84693601
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESCC(CN)c1ccc2oc(C3CCC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-9(8-15)11-5-6-13-12(7-11)16-14(17-13)10-3-2-4-10/h5-7,9-10H,2-4,8,15H2,1H3
InChIKeyPGSOAXLAQNDPNM-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
The IUPAC name of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine (CID 84693601) is 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine is CC(CN)c1ccc2oc(C3CCC3)nc2c1.
What is the InChIKey of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
The InChIKey is PGSOAXLAQNDPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(8-15)11-5-6-13-12(7-11)16-14(17-13)10-3-2-4-10/h5-7,9-10H,2-4,8,15H2,1H3.
What are the key properties of 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine?
2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-1,3-benzoxazol-5-yl)propan-1-amine is sourced from PubChem (CID 84693601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).