1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine

C13H16N2O2 — CID 96806067

IUPAC1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine
SMILESCc1nc(CNOCc2ccccc2)c(C)o1
InChIInChI=1S/C13H16N2O2/c1-10-13(15-11(2)17-10)8-14-16-9-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3
InChIKeyLOHOIFSUPHVXQF-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine

1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine (PubChem CID 96806067) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine
PubChem CID96806067
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine
SMILESCc1nc(CNOCc2ccccc2)c(C)o1
InChIInChI=1S/C13H16N2O2/c1-10-13(15-11(2)17-10)8-14-16-9-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3
InChIKeyLOHOIFSUPHVXQF-UHFFFAOYSA-N
XLogP2.51
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine (CID 96806067) is 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine is Cc1nc(CNOCc2ccccc2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine?
The InChIKey is LOHOIFSUPHVXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-13(15-11(2)17-10)8-14-16-9-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine?
1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 96806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).