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

C10H14N2O — CID 130920640

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine
SMILESCC#CCN(C)Cc1cc(C)no1
InChIInChI=1S/C10H14N2O/c1-4-5-6-12(3)8-10-7-9(2)11-13-10/h7H,6,8H2,1-3H3
InChIKeyNOZZBTATZXQIJU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.44
Rot. Bonds3

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

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine (PubChem CID 130920640) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine
PubChem CID130920640
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine
SMILESCC#CCN(C)Cc1cc(C)no1
InChIInChI=1S/C10H14N2O/c1-4-5-6-12(3)8-10-7-9(2)11-13-10/h7H,6,8H2,1-3H3
InChIKeyNOZZBTATZXQIJU-UHFFFAOYSA-N
XLogP1.44
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole
CID 119380
(3-Methylisoxazol-5-yl)methanamine
CID 16481072
Isoxazole, 3-methyl-5-((2R)-1-methyl-2-pyrrolidinyl)-
CID 9859069
3-ethyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 9989851
3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 10103768
ABT-418 hydrochloride
CID 10375597
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
5-[(2R)-1-ethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 44358926
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
N-butyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194127
3-Ethyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazole
CID 15186113
((2S,4S)-4-fluoro-1-((3-methyl-1,2-oxazol-5-yl)methyl)pyrrolidin-2-yl)methanamine
CID 119030869

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine (CID 130920640) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine is CC#CCN(C)Cc1cc(C)no1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine?
The InChIKey is NOZZBTATZXQIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-5-6-12(3)8-10-7-9(2)11-13-10/h7H,6,8H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine has a molecular weight of 178.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine is sourced from PubChem (CID 130920640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).