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

C17H16N4O3S — CID 53125965

IUPACN-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCC(=O)NCc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)s1
InChIInChI=1S/C17H16N4O3S/c1-11(22)18-9-13-7-8-14(25-13)16-20-15(24-21-16)10-19-17(23)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyWUQONJRDSMSCFO-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.36
Rot. Bonds6

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

N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 53125965) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID53125965
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCC(=O)NCc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)s1
InChIInChI=1S/C17H16N4O3S/c1-11(22)18-9-13-7-8-14(25-13)16-20-15(24-21-16)10-19-17(23)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyWUQONJRDSMSCFO-UHFFFAOYSA-N
XLogP2.36
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53126049
N-[[5-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126007
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 53126019
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126098
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91635012
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 53125965) is N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is CC(=O)NCc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)s1.
What is the InChIKey of N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is WUQONJRDSMSCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11(22)18-9-13-7-8-14(25-13)16-20-15(24-21-16)10-19-17(23)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 53125965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).