1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C16H17ClFN5O — CID 120863453

IUPAC1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C16H16FN5O.ClH/c1-10-13(9-19-22(10)12-5-3-11(17)4-6-12)14-20-15(21-23-14)16(18)7-2-8-16;/h3-6,9H,2,7-8,18H2,1H3;1H
InChIKeyFRAZMAUTDGCPTM-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.13
Rot. Bonds3

About 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120863453) has the molecular formula C16H17ClFN5O and a molecular weight of 349.80 g/mol. Its IUPAC name is 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120863453
Molecular FormulaC16H17ClFN5O
Molecular Weight349.80 g/mol
Exact Mass349.11
IUPAC Name1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C16H16FN5O.ClH/c1-10-13(9-19-22(10)12-5-3-11(17)4-6-12)14-20-15(21-23-14)16(18)7-2-8-16;/h3-6,9H,2,7-8,18H2,1H3;1H
InChIKeyFRAZMAUTDGCPTM-UHFFFAOYSA-N
XLogP3.13
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
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1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
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CID 137096074
1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855013
1-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
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CID 120858892
1-[5-(5-cyclopropyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854271
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714
1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]imidazolidin-2-one
CID 120863106
1-[5-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864790
1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120863453) is 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is FRAZMAUTDGCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O.ClH/c1-10-13(9-19-22(10)12-5-3-11(17)4-6-12)14-20-15(21-23-14)16(18)7-2-8-16;/h3-6,9H,2,7-8,18H2,1H3;1H.
What are the key properties of 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 349.80 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).