5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine

C10H13N3O2 — CID 117038935

IUPAC5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(N(C)Cc2cc(N)no2)o1
InChIInChI=1S/C10H13N3O2/c1-7-3-4-10(14-7)13(2)6-8-5-9(11)12-15-8/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyJJAGBDKQKDBFKH-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.79
Rot. Bonds3

About 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine

5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine (PubChem CID 117038935) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine
PubChem CID117038935
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(N(C)Cc2cc(N)no2)o1
InChIInChI=1S/C10H13N3O2/c1-7-3-4-10(14-7)13(2)6-8-5-9(11)12-15-8/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyJJAGBDKQKDBFKH-UHFFFAOYSA-N
XLogP1.79
TPSA68.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
5-[(N,3,4-trimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038852
5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038901
5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038923
N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
CID 115211873
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038946
5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038908
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
CID 117039027
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117038966
5-[[cyclohexyl(methyl)amino]methyl]-1,2-oxazol-3-amine
CID 117038942

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine (CID 117038935) is 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine is Cc1ccc(N(C)Cc2cc(N)no2)o1.
What is the InChIKey of 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine?
The InChIKey is JJAGBDKQKDBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-3-4-10(14-7)13(2)6-8-5-9(11)12-15-8/h3-5H,6H2,1-2H3,(H2,11,12).
What are the key properties of 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine?
5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine has a molecular weight of 207.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).