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

C15H24N4O — CID 86795211

IUPACN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C15H24N4O/c1-5-7-8-19(6-2)11-13-9-15(17-20-13)14-10-16-18(4)12(14)3/h9-10H,5-8,11H2,1-4H3
InChIKeyOGNRNEUVLUYPFX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.01
Rot. Bonds7

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

N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine (PubChem CID 86795211) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine
PubChem CID86795211
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C15H24N4O/c1-5-7-8-19(6-2)11-13-9-15(17-20-13)14-10-16-18(4)12(14)3/h9-10H,5-8,11H2,1-4H3
InChIKeyOGNRNEUVLUYPFX-UHFFFAOYSA-N
XLogP3.01
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580096
N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622850
2-(4-methylpyrazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 53624511
2-[4-[1-Ethyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 172451818
2-[4-[1-Ethyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-5-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 172465630
(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
5-(bromomethyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole
CID 75356273
5-[1-[(1,3-Dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53009602
3-Methyl-5-{1-[(3-phenyl-1H-pyrazol-4-YL)methyl]pyrrolidin-2-YL}-1,2-oxazole
CID 53034963
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-1,2-oxazole-5-carboxamide
CID 46975568
N,N-bis[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53623578
1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]-N-methyl-N-{[3-(4-pyridinyl)-5-isoxazolyl]methyl}methanamine
CID 56894384

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine (CID 86795211) is N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1cc(-c2cnn(C)c2C)no1.
What is the InChIKey of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine?
The InChIKey is OGNRNEUVLUYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-7-8-19(6-2)11-13-9-15(17-20-13)14-10-16-18(4)12(14)3/h9-10H,5-8,11H2,1-4H3.
What are the key properties of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine?
N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 86795211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).