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

C18H18N4O3S — CID 53126049

IUPACN-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCC(=O)NCc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)s1
InChIInChI=1S/C18H18N4O3S/c1-2-15(23)19-10-13-8-9-14(26-13)17-21-16(25-22-17)11-20-18(24)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyZMGQFKUJMNRCSF-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.75
Rot. Bonds7

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

N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 53126049) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID53126049
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCC(=O)NCc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)s1
InChIInChI=1S/C18H18N4O3S/c1-2-15(23)19-10-13-8-9-14(26-13)17-21-16(25-22-17)11-20-18(24)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyZMGQFKUJMNRCSF-UHFFFAOYSA-N
XLogP2.75
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[5-(acetamidomethyl)thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53125965
N-[[5-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126098
N-[[5-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126080
N-[[5-[5-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126075
N-[[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 53126101
N-[[5-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 95092058
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53112611
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 53126049) is N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is CCC(=O)NCc1ccc(-c2noc(CNC(=O)c3ccccc3)n2)s1.
What is the InChIKey of N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is ZMGQFKUJMNRCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-2-15(23)19-10-13-8-9-14(26-13)17-21-16(25-22-17)11-20-18(24)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 370.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 53126049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).