1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine

C16H19N5O — CID 56822827

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cn1nccc1-c1cccnc1
InChIInChI=1S/C16H19N5O/c1-12-15(13(2)22-19-12)10-20(3)11-21-16(6-8-18-21)14-5-4-7-17-9-14/h4-9H,10-11H2,1-3H3
InChIKeyKDDSZMKROYXOOG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.64
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine (PubChem CID 56822827) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
PubChem CID56822827
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cn1nccc1-c1cccnc1
InChIInChI=1S/C16H19N5O/c1-12-15(13(2)22-19-12)10-20(3)11-21-16(6-8-18-21)14-5-4-7-17-9-14/h4-9H,10-11H2,1-3H3
InChIKeyKDDSZMKROYXOOG-UHFFFAOYSA-N
XLogP2.64
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine (CID 56822827) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine is Cc1noc(C)c1CN(C)Cn1nccc1-c1cccnc1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
The InChIKey is KDDSZMKROYXOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-15(13(2)22-19-12)10-20(3)11-21-16(6-8-18-21)14-5-4-7-17-9-14/h4-9H,10-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine has a molecular weight of 297.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine is sourced from PubChem (CID 56822827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).