N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H19FN4O2S — CID 1155314

IUPACN,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(CNc2ccc(F)cc2)o1
InChIInChI=1S/C15H19FN4O2S/c1-3-20(4-2)14(21)10-23-15-19-18-13(22-15)9-17-12-7-5-11(16)6-8-12/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyMVPRPHAFDAFJPH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.78
Rot. Bonds8

About N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1155314) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1155314
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(CNc2ccc(F)cc2)o1
InChIInChI=1S/C15H19FN4O2S/c1-3-20(4-2)14(21)10-23-15-19-18-13(22-15)9-17-12-7-5-11(16)6-8-12/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyMVPRPHAFDAFJPH-UHFFFAOYSA-N
XLogP2.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1155314) is N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(CNc2ccc(F)cc2)o1.
What is the InChIKey of N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MVPRPHAFDAFJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-3-20(4-2)14(21)10-23-15-19-18-13(22-15)9-17-12-7-5-11(16)6-8-12/h5-8,17H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1155314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).