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

C8H14N2O — CID 79145725

IUPACN-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1ncoc1C
InChIInChI=1S/C8H14N2O/c1-3-4-9-5-8-7(2)11-6-10-8/h6,9H,3-5H2,1-2H3
InChIKeyYBFVRWMGONIFSN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.48
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 79145725) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
PubChem CID79145725
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1ncoc1C
InChIInChI=1S/C8H14N2O/c1-3-4-9-5-8-7(2)11-6-10-8/h6,9H,3-5H2,1-2H3
InChIKeyYBFVRWMGONIFSN-UHFFFAOYSA-N
XLogP1.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.48
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

N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112605899
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145821
N-[[5-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146106
N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146016
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145920
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 146134673
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 114019049
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144790
N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145257

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine (CID 79145725) is N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine is CCCNCc1ncoc1C.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is YBFVRWMGONIFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-9-5-8-7(2)11-6-10-8/h6,9H,3-5H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine?
N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 79145725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).