1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine

C11H13N3O2 — CID 64974312

IUPAC1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine
SMILESCc1nonc1CNOCc1ccccc1
InChIInChI=1S/C11H13N3O2/c1-9-11(14-16-13-9)7-12-15-8-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3
InChIKeyOBCQEWWGEWAKSQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds5

About 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine

1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine (PubChem CID 64974312) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine
PubChem CID64974312
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine
SMILESCc1nonc1CNOCc1ccccc1
InChIInChI=1S/C11H13N3O2/c1-9-11(14-16-13-9)7-12-15-8-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3
InChIKeyOBCQEWWGEWAKSQ-UHFFFAOYSA-N
XLogP1.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

Cambridge id 6316829
CID 5729906
4-amino-N'-[(4-fluorobenzyl)oxy]-1,2,5-oxadiazole-3-carboximidamide
CID 5940712
4-amino-N'-(benzyloxy)-1,2,5-oxadiazole-3-carboximidamide
CID 5334111
(Z)-4-Amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 46500072
4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
CID 3097401
4-amino-N'-(benzyloxy)-N-methyl-1,2,5-oxadiazole-3-carboximidamide
CID 3813861
4-amino-N'-[(4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2893342
4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 5047155
4-amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 6257308
4-Amino-N'-[(3-iodobenzyl)oxy]-1,2,5-oxadiazole-3-carboximidamide
CID 9600744
N-[(2-fluorophenyl)methoxy]-6,7-dihydro-2,1,3-benzoxadiazol-4-amine
CID 4078607
N-[(4-fluorophenyl)methoxy]-6,7-dihydro-2,1,3-benzoxadiazol-4-amine
CID 4610904

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine (CID 64974312) is 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine is Cc1nonc1CNOCc1ccccc1.
What is the InChIKey of 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine?
The InChIKey is OBCQEWWGEWAKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-9-11(14-16-13-9)7-12-15-8-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3.
What are the key properties of 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine?
1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine has a molecular weight of 219.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 64974312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).