N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine

C17H18N2O2 — CID 34059746

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
SMILESCCOCc1ccc(CNc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H18N2O2/c1-2-20-12-14-9-7-13(8-10-14)11-18-17-19-15-5-3-4-6-16(15)21-17/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyWOGPHAHOUXXUHN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.98
Rot. Bonds6

About N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine

N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 34059746) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
PubChem CID34059746
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
SMILESCCOCc1ccc(CNc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H18N2O2/c1-2-20-12-14-9-7-13(8-10-14)11-18-17-19-15-5-3-4-6-16(15)21-17/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyWOGPHAHOUXXUHN-UHFFFAOYSA-N
XLogP3.98
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine (CID 34059746) is N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine is CCOCc1ccc(CNc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is WOGPHAHOUXXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-20-12-14-9-7-13(8-10-14)11-18-17-19-15-5-3-4-6-16(15)21-17/h3-10H,2,11-12H2,1H3,(H,18,19).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine?
N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 282.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 34059746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).