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

C13H20N4O — CID 91836637

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1ccc(CN(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C13H20N4O/c1-5-17-7-6-12(14-17)8-16(4)9-13-10(2)15-18-11(13)3/h6-7H,5,8-9H2,1-4H3
InChIKeyDJOAXHDWJVQICP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 91836637) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID91836637
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1ccc(CN(C)Cc2c(C)noc2C)n1
InChIInChI=1S/C13H20N4O/c1-5-17-7-6-12(14-17)8-16(4)9-13-10(2)15-18-11(13)3/h6-7H,5,8-9H2,1-4H3
InChIKeyDJOAXHDWJVQICP-UHFFFAOYSA-N
XLogP2.14
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine (CID 91836637) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1ccc(CN(C)Cc2c(C)noc2C)n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is DJOAXHDWJVQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-17-7-6-12(14-17)8-16(4)9-13-10(2)15-18-11(13)3/h6-7H,5,8-9H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 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-(1-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 91836637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).