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'}

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Related Compounds

N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103893723
2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile
CID 104579885
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
N-[1-(3,5-dimethylphenyl)ethyl]pent-3-yn-1-amine
CID 104758095
2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 113463232
N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106388030

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).