1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C18H16FN5OS — CID 28955690

IUPAC1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C18H16FN5OS/c1-23(12-17-21-18(22-25-17)16-3-2-8-26-16)10-13-9-20-24(11-13)15-6-4-14(19)5-7-15/h2-9,11H,10,12H2,1H3
InChIKeyXMCJNCWHJKXNKS-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.75
Rot. Bonds6

About 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 28955690) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID28955690
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C18H16FN5OS/c1-23(12-17-21-18(22-25-17)16-3-2-8-26-16)10-13-9-20-24(11-13)15-6-4-14(19)5-7-15/h2-9,11H,10,12H2,1H3
InChIKeyXMCJNCWHJKXNKS-UHFFFAOYSA-N
XLogP3.75
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 8962276
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56888809
(E)-3-(4-fluorophenyl)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
CID 99996592
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 42923902
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60559206
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 171667182
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 35946259
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 50965177
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233181

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 28955690) is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1nc(-c2cccs2)no1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is XMCJNCWHJKXNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-23(12-17-21-18(22-25-17)16-3-2-8-26-16)10-13-9-20-24(11-13)15-6-4-14(19)5-7-15/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 369.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 28955690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).