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

C15H14ClN3OS — CID 78818373

IUPAC1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCC(NCc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3OS/c1-10(11-4-6-12(16)7-5-11)17-9-14-18-19-15(20-14)13-3-2-8-21-13/h2-8,10,17H,9H2,1H3
InChIKeyFDRGXMWFUZZLKC-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.30
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 78818373) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID78818373
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCC(NCc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3OS/c1-10(11-4-6-12(16)7-5-11)17-9-14-18-19-15(20-14)13-3-2-8-21-13/h2-8,10,17H,9H2,1H3
InChIKeyFDRGXMWFUZZLKC-UHFFFAOYSA-N
XLogP4.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9043981
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
(1S)-1-(2-fluoro-6-methoxyphenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 97334414
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 99698939
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100271
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 75521986
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 78818373) is 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CC(NCc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is FDRGXMWFUZZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-10(11-4-6-12(16)7-5-11)17-9-14-18-19-15(20-14)13-3-2-8-21-13/h2-8,10,17H,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 319.82 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 78818373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).