2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine

C12H18N4O — CID 65181306

IUPAC2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncc(-c2ccnn2C)o1
InChIInChI=1S/C12H18N4O/c1-9(2)6-13-8-12-14-7-11(17-12)10-4-5-15-16(10)3/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyFWXHXFNZJZULIN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.82
Rot. Bonds5

About 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65181306) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65181306
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncc(-c2ccnn2C)o1
InChIInChI=1S/C12H18N4O/c1-9(2)6-13-8-12-14-7-11(17-12)10-4-5-15-16(10)3/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyFWXHXFNZJZULIN-UHFFFAOYSA-N
XLogP1.82
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65181306) is 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1ncc(-c2ccnn2C)o1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is FWXHXFNZJZULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)6-13-8-12-14-7-11(17-12)10-4-5-15-16(10)3/h4-5,7,9,13H,6,8H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65181306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).