2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C18H17FN2O2S2 — CID 55518645

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1nc(SCC(=O)NC(c2ccc(F)cc2)c2cccs2)oc1C
InChIInChI=1S/C18H17FN2O2S2/c1-11-12(2)23-18(20-11)25-10-16(22)21-17(15-4-3-9-24-15)13-5-7-14(19)8-6-13/h3-9,17H,10H2,1-2H3,(H,21,22)
InChIKeyUGVRUDZBFSAYRG-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.49
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 55518645) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID55518645
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1nc(SCC(=O)NC(c2ccc(F)cc2)c2cccs2)oc1C
InChIInChI=1S/C18H17FN2O2S2/c1-11-12(2)23-18(20-11)25-10-16(22)21-17(15-4-3-9-24-15)13-5-7-14(19)8-6-13/h3-9,17H,10H2,1-2H3,(H,21,22)
InChIKeyUGVRUDZBFSAYRG-UHFFFAOYSA-N
XLogP4.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 55518645) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is Cc1nc(SCC(=O)NC(c2ccc(F)cc2)c2cccs2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is UGVRUDZBFSAYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c1-11-12(2)23-18(20-11)25-10-16(22)21-17(15-4-3-9-24-15)13-5-7-14(19)8-6-13/h3-9,17H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 55518645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).