N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C21H16FN3O3S — CID 8888608

IUPACN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C21H16FN3O3S/c22-16-7-3-14(4-8-16)20(18-2-1-11-29-18)24-19(26)12-27-17-9-5-15(6-10-17)21-25-23-13-28-21/h1-11,13,20H,12H2,(H,24,26)/t20-/m1/s1
InChIKeyMJGCLBKEEPOKQW-HXUWFJFHSA-N
MW409.44 g/mol
LogP4.22
Rot. Bonds7

About N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 8888608) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID8888608
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nnco2)cc1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C21H16FN3O3S/c22-16-7-3-14(4-8-16)20(18-2-1-11-29-18)24-19(26)12-27-17-9-5-15(6-10-17)21-25-23-13-28-21/h1-11,13,20H,12H2,(H,24,26)/t20-/m1/s1
InChIKeyMJGCLBKEEPOKQW-HXUWFJFHSA-N
XLogP4.22
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 8888608) is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is O=C(COc1ccc(-c2nnco2)cc1)N[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is MJGCLBKEEPOKQW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-16-7-3-14(4-8-16)20(18-2-1-11-29-18)24-19(26)12-27-17-9-5-15(6-10-17)21-25-23-13-28-21/h1-11,13,20H,12H2,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 409.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 8888608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).