N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine

C17H18N2O — CID 65239769

IUPACN-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-12(2)18-10-16-11-19-20-17(16)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,18H,10H2,1-2H3
InChIKeyYLXGJBBYTVCGPL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds4

About N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine

N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine (PubChem CID 65239769) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
PubChem CID65239769
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-12(2)18-10-16-11-19-20-17(16)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,18H,10H2,1-2H3
InChIKeyYLXGJBBYTVCGPL-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239484
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 114911177
N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65240224
N-[(2-naphthalen-2-ylphenyl)methyl]propan-2-amine
CID 63424194
N-[[5-(4-nitrophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239538
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65239826
N-[[5-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65240288
N-methyl-1-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239812
N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65240284
N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65240105
N-[[5-(4-propylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65240268
N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239931

Frequently Asked Questions

What is the IUPAC name of N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine (CID 65239769) is N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cnoc1-c1ccc2ccccc2c1.
What is the InChIKey of N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
The InChIKey is YLXGJBBYTVCGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)18-10-16-11-19-20-17(16)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,18H,10H2,1-2H3.
What are the key properties of N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-2-yl-1,2-oxazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 65239769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).