N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine

C11H16N2O — CID 104764634

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)c1ncc(C)o1
InChIInChI=1S/C11H16N2O/c1-4-5-6-7-12-10(3)11-13-8-9(2)14-11/h8,10,12H,6-7H2,1-3H3
InChIKeySISPQDDXVSOBRH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine (PubChem CID 104764634) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
PubChem CID104764634
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)c1ncc(C)o1
InChIInChI=1S/C11H16N2O/c1-4-5-6-7-12-10(3)11-13-8-9(2)14-11/h8,10,12H,6-7H2,1-3H3
InChIKeySISPQDDXVSOBRH-UHFFFAOYSA-N
XLogP2.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine (CID 104764634) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine is CC#CCCNC(C)c1ncc(C)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine?
The InChIKey is SISPQDDXVSOBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-5-6-7-12-10(3)11-13-8-9(2)14-11/h8,10,12H,6-7H2,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine has a molecular weight of 192.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine is sourced from PubChem (CID 104764634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).