N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C18H22N4O — CID 77093245

IUPACN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(C)n(-c2cccc(CN(C)C(C)c3ccon3)c2)n1
InChIInChI=1S/C18H22N4O/c1-13-10-14(2)22(19-13)17-7-5-6-16(11-17)12-21(4)15(3)18-8-9-23-20-18/h5-11,15H,12H2,1-4H3
InChIKeyBRHSOEGOBWXTTB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.67
Rot. Bonds5

About N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 77093245) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID77093245
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(C)n(-c2cccc(CN(C)C(C)c3ccon3)c2)n1
InChIInChI=1S/C18H22N4O/c1-13-10-14(2)22(19-13)17-7-5-6-16(11-17)12-21(4)15(3)18-8-9-23-20-18/h5-11,15H,12H2,1-4H3
InChIKeyBRHSOEGOBWXTTB-UHFFFAOYSA-N
XLogP3.67
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 77093245) is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is Cc1cc(C)n(-c2cccc(CN(C)C(C)c3ccon3)c2)n1.
What is the InChIKey of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is BRHSOEGOBWXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-10-14(2)22(19-13)17-7-5-6-16(11-17)12-21(4)15(3)18-8-9-23-20-18/h5-11,15H,12H2,1-4H3.
What are the key properties of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 310.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 77093245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).