N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine

C15H16N4O — CID 81343580

IUPACN-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCC(NCc1ccon1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H16N4O/c1-12(16-10-14-7-8-20-18-14)13-9-17-19(11-13)15-5-3-2-4-6-15/h2-9,11-12,16H,10H2,1H3
InChIKeyACJMRNNQYGBRLB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.71
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine

N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 81343580) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID81343580
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCC(NCc1ccon1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H16N4O/c1-12(16-10-14-7-8-20-18-14)13-9-17-19(11-13)15-5-3-2-4-6-15/h2-9,11-12,16H,10H2,1H3
InChIKeyACJMRNNQYGBRLB-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81472971
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine (CID 81343580) is N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine is CC(NCc1ccon1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is ACJMRNNQYGBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12(16-10-14-7-8-20-18-14)13-9-17-19(11-13)15-5-3-2-4-6-15/h2-9,11-12,16H,10H2,1H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine?
N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 81343580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).