N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine

C13H16N2O — CID 60713961

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
SMILESCc1cc(CNC(C)c2ccccc2)on1
InChIInChI=1S/C13H16N2O/c1-10-8-13(16-15-10)9-14-11(2)12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3
InChIKeyOPUPMAMKZGRKLQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.83
Rot. Bonds4

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine (PubChem CID 60713961) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
PubChem CID60713961
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
SMILESCc1cc(CNC(C)c2ccccc2)on1
InChIInChI=1S/C13H16N2O/c1-10-8-13(16-15-10)9-14-11(2)12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3
InChIKeyOPUPMAMKZGRKLQ-UHFFFAOYSA-N
XLogP2.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719398
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
CID 60720836
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60713955
1-(2-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713894
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
CID 104897754
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103258761

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine (CID 60713961) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine is Cc1cc(CNC(C)c2ccccc2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine?
The InChIKey is OPUPMAMKZGRKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-8-13(16-15-10)9-14-11(2)12-6-4-3-5-7-12/h3-8,11,14H,9H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 60713961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).