1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine

C13H18N4O — CID 146145133

IUPAC1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCc1ocnc1CNCc1cnn(C2CCC2)c1
InChIInChI=1S/C13H18N4O/c1-10-13(15-9-18-10)7-14-5-11-6-16-17(8-11)12-3-2-4-12/h6,8-9,12,14H,2-5,7H2,1H3
InChIKeyVHRNMLOWROCUAS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.19
Rot. Bonds5

About 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine

1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 146145133) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID146145133
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCc1ocnc1CNCc1cnn(C2CCC2)c1
InChIInChI=1S/C13H18N4O/c1-10-13(15-9-18-10)7-14-5-11-6-16-17(8-11)12-3-2-4-12/h6,8-9,12,14H,2-5,7H2,1H3
InChIKeyVHRNMLOWROCUAS-UHFFFAOYSA-N
XLogP2.19
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine (CID 146145133) is 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine is Cc1ocnc1CNCc1cnn(C2CCC2)c1.
What is the InChIKey of 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is VHRNMLOWROCUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-13(15-9-18-10)7-14-5-11-6-16-17(8-11)12-3-2-4-12/h6,8-9,12,14H,2-5,7H2,1H3.
What are the key properties of 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine?
1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 146145133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).