N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide

C19H21FN4O2S — CID 86857433

IUPACN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(-c3ccccc3F)s2)no1
InChIInChI=1S/C19H21FN4O2S/c1-19(2,18-21-16(26-23-18)11-24(3)4)22-17(25)15-10-9-14(27-15)12-7-5-6-8-13(12)20/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyXNMJHMKDEQTBHY-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.66
Rot. Bonds6

About N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide

N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 86857433) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide
PubChem CID86857433
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(-c3ccccc3F)s2)no1
InChIInChI=1S/C19H21FN4O2S/c1-19(2,18-21-16(26-23-18)11-24(3)4)22-17(25)15-10-9-14(27-15)12-7-5-6-8-13(12)20/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyXNMJHMKDEQTBHY-UHFFFAOYSA-N
XLogP3.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide (CID 86857433) is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide is CN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(-c3ccccc3F)s2)no1.
What is the InChIKey of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is XNMJHMKDEQTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-19(2,18-21-16(26-23-18)11-24(3)4)22-17(25)15-10-9-14(27-15)12-7-5-6-8-13(12)20/h5-10H,11H2,1-4H3,(H,22,25).
What are the key properties of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 86857433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).