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

C15H13ClFN3OS — CID 26509756

IUPAC1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H13ClFN3OS/c1-20(8-12-6-7-13(16)22-12)9-14-18-15(19-21-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3
InChIKeyHGUOVKCLDYKVPG-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.22
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 26509756) has the molecular formula C15H13ClFN3OS and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID26509756
Molecular FormulaC15H13ClFN3OS
Molecular Weight337.81 g/mol
Exact Mass337.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H13ClFN3OS/c1-20(8-12-6-7-13(16)22-12)9-14-18-15(19-21-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3
InChIKeyHGUOVKCLDYKVPG-UHFFFAOYSA-N
XLogP4.22
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 8971625
1-(5-bromothiophen-2-yl)-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 8971631
1-(2-chloro-5-nitrophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 17437571
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 42540179
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56860414
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
N-[(5-chlorothiophen-2-yl)methyl]-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 55571468
1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 35890979
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 55816296
[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
CID 63289452
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
CID 6473072

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 26509756) is 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is HGUOVKCLDYKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3OS/c1-20(8-12-6-7-13(16)22-12)9-14-18-15(19-21-14)10-2-4-11(17)5-3-10/h2-7H,8-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 337.81 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 26509756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).