N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine

C16H21N3O — CID 81493074

IUPACN-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C16H21N3O/c1-12-3-5-13(6-4-12)16-9-15(20-18-16)11-19-8-7-14(10-19)17-2/h3-6,9,14,17H,7-8,10-11H2,1-2H3
InChIKeyMRBOCKLGYAALEJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine

N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine (PubChem CID 81493074) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
PubChem CID81493074
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2cc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C16H21N3O/c1-12-3-5-13(6-4-12)16-9-15(20-18-16)11-19-8-7-14(10-19)17-2/h3-6,9,14,17H,7-8,10-11H2,1-2H3
InChIKeyMRBOCKLGYAALEJ-UHFFFAOYSA-N
XLogP2.44
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62372265
3-(4-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 65449393
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
N-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-amine
CID 62524559
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
N-methyl-1-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119914598
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533
[3-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120771845
[(3R,4R)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120759955
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 86774588

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine (CID 81493074) is N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine is CNC1CCN(Cc2cc(-c3ccc(C)cc3)no2)C1.
What is the InChIKey of N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
The InChIKey is MRBOCKLGYAALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-3-5-13(6-4-12)16-9-15(20-18-16)11-19-8-7-14(10-19)17-2/h3-6,9,14,17H,7-8,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine?
N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine has a molecular weight of 271.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81493074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).