2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine

C16H24N2O — CID 62852805

IUPAC2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C16H24N2O/c1-6-17-10-11(2)15-18-13-9-12(16(3,4)5)7-8-14(13)19-15/h7-9,11,17H,6,10H2,1-5H3
InChIKeyAKFGOWRIQVPVCS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine

2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine (PubChem CID 62852805) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine
PubChem CID62852805
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C16H24N2O/c1-6-17-10-11(2)15-18-13-9-12(16(3,4)5)7-8-14(13)19-15/h7-9,11,17H,6,10H2,1-5H3
InChIKeyAKFGOWRIQVPVCS-UHFFFAOYSA-N
XLogP3.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine (CID 62852805) is 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine is CCNCC(C)c1nc2cc(C(C)(C)C)ccc2o1.
What is the InChIKey of 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine?
The InChIKey is AKFGOWRIQVPVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-17-10-11(2)15-18-13-9-12(16(3,4)5)7-8-14(13)19-15/h7-9,11,17H,6,10H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine?
2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,3-benzoxazol-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62852805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).