N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine

C17H20N4O — CID 75442926

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
SMILESCc1noc(C)c1CNC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H20N4O/c1-12(18-11-17-13(2)20-22-14(17)3)15-6-4-7-16(10-15)21-9-5-8-19-21/h4-10,12,18H,11H2,1-3H3
InChIKeySOFQYXCXNYYRAY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine (PubChem CID 75442926) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
PubChem CID75442926
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
SMILESCc1noc(C)c1CNC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H20N4O/c1-12(18-11-17-13(2)20-22-14(17)3)15-6-4-7-16(10-15)21-9-5-8-19-21/h4-10,12,18H,11H2,1-3H3
InChIKeySOFQYXCXNYYRAY-UHFFFAOYSA-N
XLogP3.33
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 97334226
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one
CID 166364494
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276363
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985562
1-(1,3-benzodioxol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 43689451
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine
CID 75512876
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine (CID 75442926) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine is Cc1noc(C)c1CNC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is SOFQYXCXNYYRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(18-11-17-13(2)20-22-14(17)3)15-6-4-7-16(10-15)21-9-5-8-19-21/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 296.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 75442926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).