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

C14H22N4O — CID 43647767

IUPACN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2c(C)noc2C)c1C
InChIInChI=1S/C14H22N4O/c1-6-15-7-13-9(2)16-18(11(13)4)8-14-10(3)17-19-12(14)5/h15H,6-8H2,1-5H3
InChIKeyIZNOCPOSTTVWNX-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.26
Rot. Bonds5

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

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 43647767) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID43647767
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(Cc2c(C)noc2C)c1C
InChIInChI=1S/C14H22N4O/c1-6-15-7-13-9(2)16-18(11(13)4)8-14-10(3)17-19-12(14)5/h15H,6-8H2,1-5H3
InChIKeyIZNOCPOSTTVWNX-UHFFFAOYSA-N
XLogP2.26
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647816
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 114930880
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795
N-[[1-(3-fluoropropyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 81113432
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66403625
N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 61496901
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 103136272
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
3-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-2,2-dimethylpropanoic acid
CID 79620308

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (CID 43647767) is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(Cc2c(C)noc2C)c1C.
What is the InChIKey of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is IZNOCPOSTTVWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-6-15-7-13-9(2)16-18(11(13)4)8-14-10(3)17-19-12(14)5/h15H,6-8H2,1-5H3.
What are the key properties of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 262.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 43647767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).