N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine

C17H20N2O — CID 60931302

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NCC3CC4C=CC3C4)ccc2o1
InChIInChI=1S/C17H20N2O/c1-2-17-19-15-9-14(5-6-16(15)20-17)18-10-13-8-11-3-4-12(13)7-11/h3-6,9,11-13,18H,2,7-8,10H2,1H3
InChIKeyUODVLHVYTUGPOT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.01
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine (PubChem CID 60931302) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine
PubChem CID60931302
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NCC3CC4C=CC3C4)ccc2o1
InChIInChI=1S/C17H20N2O/c1-2-17-19-15-9-14(5-6-16(15)20-17)18-10-13-8-11-3-4-12(13)7-11/h3-6,9,11-13,18H,2,7-8,10H2,1H3
InChIKeyUODVLHVYTUGPOT-UHFFFAOYSA-N
XLogP4.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine (CID 60931302) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine is CCc1nc2cc(NCC3CC4C=CC3C4)ccc2o1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine?
The InChIKey is UODVLHVYTUGPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-17-19-15-9-14(5-6-16(15)20-17)18-10-13-8-11-3-4-12(13)7-11/h3-6,9,11-13,18H,2,7-8,10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine has a molecular weight of 268.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 60931302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).