2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

C16H17FN4O4S — CID 4193335

IUPAC2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCC(=O)N2CCOCC2)o1)c1ccccc1F
InChIInChI=1S/C16H17FN4O4S/c17-12-4-2-1-3-11(12)15(23)18-9-13-19-20-16(25-13)26-10-14(22)21-5-7-24-8-6-21/h1-4H,5-10H2,(H,18,23)
InChIKeyDKTBFUJYUFBRFM-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.09
Rot. Bonds6

About 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 4193335) has the molecular formula C16H17FN4O4S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID4193335
Molecular FormulaC16H17FN4O4S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCC(=O)N2CCOCC2)o1)c1ccccc1F
InChIInChI=1S/C16H17FN4O4S/c17-12-4-2-1-3-11(12)15(23)18-9-13-19-20-16(25-13)26-10-14(22)21-5-7-24-8-6-21/h1-4H,5-10H2,(H,18,23)
InChIKeyDKTBFUJYUFBRFM-UHFFFAOYSA-N
XLogP1.09
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 4193335) is 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(SCC(=O)N2CCOCC2)o1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is DKTBFUJYUFBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4S/c17-12-4-2-1-3-11(12)15(23)18-9-13-19-20-16(25-13)26-10-14(22)21-5-7-24-8-6-21/h1-4H,5-10H2,(H,18,23).
What are the key properties of 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4193335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).