N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine

C18H18N2O2 — CID 51120974

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCCOc3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C18H18N2O2/c1-2-7-17-16(6-1)20-18(22-17)19-10-11-21-15-9-8-13-4-3-5-14(13)12-15/h1-2,6-9,12H,3-5,10-11H2,(H,19,20)
InChIKeyCRCXEEFQQGGDIE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine (PubChem CID 51120974) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine
PubChem CID51120974
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCCOc3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C18H18N2O2/c1-2-7-17-16(6-1)20-18(22-17)19-10-11-21-15-9-8-13-4-3-5-14(13)12-15/h1-2,6-9,12H,3-5,10-11H2,(H,19,20)
InChIKeyCRCXEEFQQGGDIE-UHFFFAOYSA-N
XLogP3.81
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine (CID 51120974) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine is c1ccc2oc(NCCOc3ccc4c(c3)CCC4)nc2c1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is CRCXEEFQQGGDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-7-17-16(6-1)20-18(22-17)19-10-11-21-15-9-8-13-4-3-5-14(13)12-15/h1-2,6-9,12H,3-5,10-11H2,(H,19,20).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 51120974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).