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

C15H16N4O — CID 65178515

IUPACN-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C15H16N4O/c1-2-16-10-15-17-9-14(20-15)12-8-18-19(11-12)13-6-4-3-5-7-13/h3-9,11,16H,2,10H2,1H3
InChIKeyFTNXGXVWNPICCQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.64
Rot. Bonds5

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

N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65178515) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65178515
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C15H16N4O/c1-2-16-10-15-17-9-14(20-15)12-8-18-19(11-12)13-6-4-3-5-7-13/h3-9,11,16H,2,10H2,1H3
InChIKeyFTNXGXVWNPICCQ-UHFFFAOYSA-N
XLogP2.64
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65178515) is N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2cnn(-c3ccccc3)c2)o1.
What is the InChIKey of N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is FTNXGXVWNPICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-16-10-15-17-9-14(20-15)12-8-18-19(11-12)13-6-4-3-5-7-13/h3-9,11,16H,2,10H2,1H3.
What are the key properties of N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65178515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).