N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C16H18FN5O — CID 138992986

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCn1nccc1CNC(C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H18FN5O/c1-3-22-14(7-8-19-22)10-18-11(2)16-20-15(21-23-16)12-5-4-6-13(17)9-12/h4-9,11,18H,3,10H2,1-2H3
InChIKeyBRDAPYAIWJRCIL-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.94
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 138992986) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID138992986
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCn1nccc1CNC(C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H18FN5O/c1-3-22-14(7-8-19-22)10-18-11(2)16-20-15(21-23-16)12-5-4-6-13(17)9-12/h4-9,11,18H,3,10H2,1-2H3
InChIKeyBRDAPYAIWJRCIL-UHFFFAOYSA-N
XLogP2.94
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 138992986) is N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCn1nccc1CNC(C)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is BRDAPYAIWJRCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-3-22-14(7-8-19-22)10-18-11(2)16-20-15(21-23-16)12-5-4-6-13(17)9-12/h4-9,11,18H,3,10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 315.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 138992986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).