2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide

C17H13ClFN3O2S — CID 53156195

IUPAC2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClFN3O2S/c18-13-7-10(19)3-5-12(13)16(23)20-8-11-4-6-14(25-11)17-21-15(22-24-17)9-1-2-9/h3-7,9H,1-2,8H2,(H,20,23)
InChIKeyZOEOVQPHPAGDQF-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.40
Rot. Bonds5

About 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide

2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide (PubChem CID 53156195) has the molecular formula C17H13ClFN3O2S and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide
PubChem CID53156195
Molecular FormulaC17H13ClFN3O2S
Molecular Weight377.83 g/mol
Exact Mass377.04
IUPAC Name2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H13ClFN3O2S/c18-13-7-10(19)3-5-12(13)16(23)20-8-11-4-6-14(25-11)17-21-15(22-24-17)9-1-2-9/h3-7,9H,1-2,8H2,(H,20,23)
InChIKeyZOEOVQPHPAGDQF-UHFFFAOYSA-N
XLogP4.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide (CID 53156195) is 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide is O=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is ZOEOVQPHPAGDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S/c18-13-7-10(19)3-5-12(13)16(23)20-8-11-4-6-14(25-11)17-21-15(22-24-17)9-1-2-9/h3-7,9H,1-2,8H2,(H,20,23).
What are the key properties of 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide?
2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 377.83 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 53156195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).