5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine

C14H19N3O — CID 117039027

IUPAC5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(CCN(C)Cc2cc(N)no2)cc1
InChIInChI=1S/C14H19N3O/c1-11-3-5-12(6-4-11)7-8-17(2)10-13-9-14(15)16-18-13/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyZPTUNJBFQLKMNE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds5

About 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine

5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine (PubChem CID 117039027) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
PubChem CID117039027
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(CCN(C)Cc2cc(N)no2)cc1
InChIInChI=1S/C14H19N3O/c1-11-3-5-12(6-4-11)7-8-17(2)10-13-9-14(15)16-18-13/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16)
InChIKeyZPTUNJBFQLKMNE-UHFFFAOYSA-N
XLogP2.24
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine (CID 117039027) is 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine is Cc1ccc(CCN(C)Cc2cc(N)no2)cc1.
What is the InChIKey of 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine?
The InChIKey is ZPTUNJBFQLKMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-3-5-12(6-4-11)7-8-17(2)10-13-9-14(15)16-18-13/h3-6,9H,7-8,10H2,1-2H3,(H2,15,16).
What are the key properties of 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine?
5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117039027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).