N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine

C8H14N2O — CID 163622871

IUPACN-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine
SMILESCCC(NC)c1ocnc1C
InChIInChI=1S/C8H14N2O/c1-4-7(9-3)8-6(2)10-5-11-8/h5,7,9H,4H2,1-3H3
InChIKeyHPQDJXLGWQEHEW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine

N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine (PubChem CID 163622871) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine
PubChem CID163622871
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine
SMILESCCC(NC)c1ocnc1C
InChIInChI=1S/C8H14N2O/c1-4-7(9-3)8-6(2)10-5-11-8/h5,7,9H,4H2,1-3H3
InChIKeyHPQDJXLGWQEHEW-UHFFFAOYSA-N
XLogP1.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine (CID 163622871) is N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine is CCC(NC)c1ocnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine?
The InChIKey is HPQDJXLGWQEHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-7(9-3)8-6(2)10-5-11-8/h5,7,9H,4H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine?
N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-amine is sourced from PubChem (CID 163622871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).