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

C15H16N4O — CID 65181579

IUPACN-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNC(C)c1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C15H16N4O/c1-11(16-2)15-17-9-14(20-15)12-8-18-19(10-12)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyMOIGHVVIIHPUCZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.81
Rot. Bonds4

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

N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65181579) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65181579
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNC(C)c1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C15H16N4O/c1-11(16-2)15-17-9-14(20-15)12-8-18-19(10-12)13-6-4-3-5-7-13/h3-11,16H,1-2H3
InChIKeyMOIGHVVIIHPUCZ-UHFFFAOYSA-N
XLogP2.81
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine (CID 65181579) is N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine is CNC(C)c1ncc(-c2cnn(-c3ccccc3)c2)o1.
What is the InChIKey of N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is MOIGHVVIIHPUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(16-2)15-17-9-14(20-15)12-8-18-19(10-12)13-6-4-3-5-7-13/h3-11,16H,1-2H3.
What are the key properties of N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65181579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).