3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine

C15H16ClN5O — CID 133444924

IUPAC3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCCc1nn(C)cc1CNc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H16ClN5O/c1-3-13-11(9-21(2)19-13)8-17-15-18-14(20-22-15)10-5-4-6-12(16)7-10/h4-7,9H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyMOIUYQLMRJLYLA-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.30
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine

3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133444924) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID133444924
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCCc1nn(C)cc1CNc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H16ClN5O/c1-3-13-11(9-21(2)19-13)8-17-15-18-14(20-22-15)10-5-4-6-12(16)7-10/h4-7,9H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyMOIUYQLMRJLYLA-UHFFFAOYSA-N
XLogP3.30
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 165350684
3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133380047
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 133282298
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 133314634
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103894043
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
CID 133351569
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,3-difluoroaniline
CID 112668970
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 133444924) is 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine is CCc1nn(C)cc1CNc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is MOIUYQLMRJLYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-3-13-11(9-21(2)19-13)8-17-15-18-14(20-22-15)10-5-4-6-12(16)7-10/h4-7,9H,3,8H2,1-2H3,(H,17,18,20).
What are the key properties of 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 317.78 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133444924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).