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

C13H24N2O — CID 65185038

IUPAC2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCc1ncc(C(C)C)o1
InChIInChI=1S/C13H24N2O/c1-10(2)8-14-7-5-6-13-15-9-12(16-13)11(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyPTALZVWGVQRSNU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.98
Rot. Bonds7

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

2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine (PubChem CID 65185038) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
PubChem CID65185038
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
SMILESCC(C)CNCCCc1ncc(C(C)C)o1
InChIInChI=1S/C13H24N2O/c1-10(2)8-14-7-5-6-13-15-9-12(16-13)11(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyPTALZVWGVQRSNU-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
2-methyl-N-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65184743
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184690
N-[3-[5-(3,5-difluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184439
N-[3-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103022713
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185137
2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182651
N-[3-[5-(5-ethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184537
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 81327217
2-methyl-N-[3-[5-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 103213243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine (CID 65185038) is 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine is CC(C)CNCCCc1ncc(C(C)C)o1.
What is the InChIKey of 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine?
The InChIKey is PTALZVWGVQRSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)8-14-7-5-6-13-15-9-12(16-13)11(3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine?
2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 65185038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).