N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

C13H22N4O — CID 124753847

IUPACN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCCC1=NO[C@@H](CN(C)CCCn2cccn2)C1
InChIInChI=1S/C13H22N4O/c1-3-12-10-13(18-15-12)11-16(2)7-5-9-17-8-4-6-14-17/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyMTGRIRCEVJSWJF-CYBMUJFWSA-N
MW250.35 g/mol
LogP1.76
Rot. Bonds7

About N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (PubChem CID 124753847) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
PubChem CID124753847
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCCC1=NO[C@@H](CN(C)CCCn2cccn2)C1
InChIInChI=1S/C13H22N4O/c1-3-12-10-13(18-15-12)11-16(2)7-5-9-17-8-4-6-14-17/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyMTGRIRCEVJSWJF-CYBMUJFWSA-N
XLogP1.76
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine with MolForge

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Related Compounds

1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
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N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 42286681
N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine
CID 77095551
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-5-pyrazol-1-ylpentan-1-amine
CID 56549576
1-pentylpyrazole;propane
CID 156859541
2-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 72919858
N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 77084100
5-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;dihydrochloride
CID 154906908
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 94821663
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (CID 124753847) is N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is CCC1=NO[C@@H](CN(C)CCCn2cccn2)C1.
What is the InChIKey of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is MTGRIRCEVJSWJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-12-10-13(18-15-12)11-16(2)7-5-9-17-8-4-6-14-17/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 124753847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).