2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine

C18H14N2O — CID 79022482

IUPAC2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(Cc3cccc4ccccc34)nc12
InChIInChI=1S/C18H14N2O/c19-15-9-4-10-16-18(15)20-17(21-16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11,19H2
InChIKeyIQAOWVQOIAJZNG-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.15
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine

2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine (PubChem CID 79022482) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
PubChem CID79022482
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(Cc3cccc4ccccc34)nc12
InChIInChI=1S/C18H14N2O/c19-15-9-4-10-16-18(15)20-17(21-16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11,19H2
InChIKeyIQAOWVQOIAJZNG-UHFFFAOYSA-N
XLogP4.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-nitrophenyl)methyl]-1,3-benzoxazol-4-amine
CID 82346463
2-[(3-fluorophenyl)methyl]-1,3-benzoxazol-4-amine
CID 79022264
2-[(2-chlorophenyl)methylsulfanylmethyl]-1,3-benzoxazol-4-amine
CID 103288347
2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998854
2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
CID 107712120
5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692237
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-4-amine
CID 82346438
methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
CID 131332888
2-[(4-amino-1,3-benzoxazol-2-yl)methyl]isoindole-1,3-dione
CID 82346442
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766
2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
CID 79999709
2-[(2-ethoxyphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79997949

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine (CID 79022482) is 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine is Nc1cccc2oc(Cc3cccc4ccccc34)nc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine?
The InChIKey is IQAOWVQOIAJZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c19-15-9-4-10-16-18(15)20-17(21-16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11,19H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine?
2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine has a molecular weight of 274.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79022482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).