2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine

C18H14N2O — CID 28932107

IUPAC2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(Cc3ccc4ccccc4c3)oc2c1
InChIInChI=1S/C18H14N2O/c19-15-7-8-16-17(11-15)21-18(20-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10,19H2
InChIKeyOWFMWJACWRRPRF-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.15
Rot. Bonds2

About 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine

2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine (PubChem CID 28932107) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine
PubChem CID28932107
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(Cc3ccc4ccccc4c3)oc2c1
InChIInChI=1S/C18H14N2O/c19-15-7-8-16-17(11-15)21-18(20-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10,19H2
InChIKeyOWFMWJACWRRPRF-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-benzyl-1,3-benzoxazol-6-amine
CID 39112088
2-[(4-methylphenyl)methyl]-1,3-benzoxazol-6-amine
CID 43152427
2-(pyridin-3-ylmethyl)-1,3-benzoxazol-6-amine
CID 96604124
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]aniline
CID 81434208
2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 66203826
2-(2-methylbutyl)-1,3-benzoxazol-6-amine
CID 112694836
2-(benzenesulfonylmethyl)-1,3-benzoxazol-6-amine
CID 79999527
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995079
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
2-[(2,6-difluorophenoxy)methyl]-1,3-benzoxazol-6-amine
CID 81268488

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine (CID 28932107) is 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine is Nc1ccc2nc(Cc3ccc4ccccc4c3)oc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine?
The InChIKey is OWFMWJACWRRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c19-15-7-8-16-17(11-15)21-18(20-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10,19H2.
What are the key properties of 2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-amine?
2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-6-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-2-ylmethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 28932107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).