N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine

C9H16N2O — CID 177319987

IUPACN-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine
SMILESCNCCCCc1cnc(C)o1
InChIInChI=1S/C9H16N2O/c1-8-11-7-9(12-8)5-3-4-6-10-2/h7,10H,3-6H2,1-2H3
InChIKeyAGQFMBYLORINHI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.53
Rot. Bonds5

About N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine

N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine (PubChem CID 177319987) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine
PubChem CID177319987
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine
SMILESCNCCCCc1cnc(C)o1
InChIInChI=1S/C9H16N2O/c1-8-11-7-9(12-8)5-3-4-6-10-2/h7,10H,3-6H2,1-2H3
InChIKeyAGQFMBYLORINHI-UHFFFAOYSA-N
XLogP1.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine (CID 177319987) is N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine is CNCCCCc1cnc(C)o1.
What is the InChIKey of N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine?
The InChIKey is AGQFMBYLORINHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-11-7-9(12-8)5-3-4-6-10-2/h7,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine?
N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-1,3-oxazol-5-yl)butan-1-amine is sourced from PubChem (CID 177319987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).