N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine

C6H10N2O2 — CID 82594380

IUPACN-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCONCc1cc(C)no1
InChIInChI=1S/C6H10N2O2/c1-5-3-6(10-8-5)4-7-9-2/h3,7H,4H2,1-2H3
InChIKeyCPZYTVRXYBUQEU-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.63
Rot. Bonds3

About N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine

N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 82594380) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
PubChem CID82594380
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCONCc1cc(C)no1
InChIInChI=1S/C6H10N2O2/c1-5-3-6(10-8-5)4-7-9-2/h3,7H,4H2,1-2H3
InChIKeyCPZYTVRXYBUQEU-UHFFFAOYSA-N
XLogP0.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 60719969
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
CID 97069579
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
2-N,2-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propane-1,2-diamine
CID 62846772
5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
CID 48944715
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979583
2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine
CID 107259085
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
CID 113286515

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine (CID 82594380) is N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine is CONCc1cc(C)no1.
What is the InChIKey of N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is CPZYTVRXYBUQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5-3-6(10-8-5)4-7-9-2/h3,7H,4H2,1-2H3.
What are the key properties of N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 142.16 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 82594380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).