N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

C14H21N5O — CID 46998686

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2noc(C)n2)c(C)n1
InChIInChI=1S/C14H21N5O/c1-5-7-19-9-13(11(3)16-19)8-18(6-2)10-14-15-12(4)20-17-14/h5,9H,1,6-8,10H2,2-4H3
InChIKeyOGRYPOGZPAFOHQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.09
Rot. Bonds7

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46998686) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
PubChem CID46998686
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2noc(C)n2)c(C)n1
InChIInChI=1S/C14H21N5O/c1-5-7-19-9-13(11(3)16-19)8-18(6-2)10-14-15-12(4)20-17-14/h5,9H,1,6-8,10H2,2-4H3
InChIKeyOGRYPOGZPAFOHQ-UHFFFAOYSA-N
XLogP2.09
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16188439
5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
5-Methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780488
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71872456
N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 71878610
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
CID 72122923
5-Methyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141415
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
CID 75373782
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylmethanamine
CID 46982691
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 50984018
3-[[3-(4-Methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 56780800
3-(2-Methylpropyl)-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 75514064

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (CID 46998686) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is C=CCn1cc(CN(CC)Cc2noc(C)n2)c(C)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OGRYPOGZPAFOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-7-19-9-13(11(3)16-19)8-18(6-2)10-14-15-12(4)20-17-14/h5,9H,1,6-8,10H2,2-4H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46998686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).