N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine

C15H16N2O — CID 56671957

IUPACN-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
SMILESC#CCN(C)Cc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H16N2O/c1-4-9-17(3)10-14-11-18-15(16-14)13-7-5-12(2)6-8-13/h1,5-8,11H,9-10H2,2-3H3
InChIKeyGUGZMDDVBJCQBE-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine

N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine (PubChem CID 56671957) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
PubChem CID56671957
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
SMILESC#CCN(C)Cc1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C15H16N2O/c1-4-9-17(3)10-14-11-18-15(16-14)13-7-5-12(2)6-8-13/h1,5-8,11H,9-10H2,2-3H3
InChIKeyGUGZMDDVBJCQBE-UHFFFAOYSA-N
XLogP2.72
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.72
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

4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid
CID 62639418
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N,4-dimethylaniline
CID 56665812
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915157
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111590274
1-ethyl-2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-prop-2-ynylguanidine
CID 111591703
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336384

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine?
The IUPAC name of N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine (CID 56671957) is N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine?
The canonical SMILES for N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine is C#CCN(C)Cc1coc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine?
The InChIKey is GUGZMDDVBJCQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-4-9-17(3)10-14-11-18-15(16-14)13-7-5-12(2)6-8-13/h1,5-8,11H,9-10H2,2-3H3.
What are the key properties of N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine?
N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine has a molecular weight of 240.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine is sourced from PubChem (CID 56671957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).