N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline

C18H22N4O — CID 126774432

IUPACN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C18H22N4O/c1-5-14-8-6-7-12(2)18(14)19-10-15-9-17(21-23-15)16-11-20-22(4)13(16)3/h6-9,11,19H,5,10H2,1-4H3
InChIKeyGMQRMBOBJNCYPC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.87
Rot. Bonds5

About N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline

N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline (PubChem CID 126774432) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline
PubChem CID126774432
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1cc(-c2cnn(C)c2C)no1
InChIInChI=1S/C18H22N4O/c1-5-14-8-6-7-12(2)18(14)19-10-15-9-17(21-23-15)16-11-20-22(4)13(16)3/h6-9,11,19H,5,10H2,1-4H3
InChIKeyGMQRMBOBJNCYPC-UHFFFAOYSA-N
XLogP3.87
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline (CID 126774432) is N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCc1cc(-c2cnn(C)c2C)no1.
What is the InChIKey of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline?
The InChIKey is GMQRMBOBJNCYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-5-14-8-6-7-12(2)18(14)19-10-15-9-17(21-23-15)16-11-20-22(4)13(16)3/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline?
N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-ethyl-6-methylaniline has a molecular weight of 310.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 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]-2-ethyl-6-methylaniline is sourced from PubChem (CID 126774432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).