2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H16FN5O2S — CID 95919102

IUPAC2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccnc2NCc2ccccc2F)no1
InChIInChI=1S/C17H16FN5O2S/c1-11-8-14(23-25-11)22-15(24)10-26-17-16(19-6-7-20-17)21-9-12-4-2-3-5-13(12)18/h2-8H,9-10H2,1H3,(H,19,21)(H,22,23,24)
InChIKeyYGATXGYZMVUESL-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.26
Rot. Bonds7

About 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 95919102) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID95919102
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC Name2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccnc2NCc2ccccc2F)no1
InChIInChI=1S/C17H16FN5O2S/c1-11-8-14(23-25-11)22-15(24)10-26-17-16(19-6-7-20-17)21-9-12-4-2-3-5-13(12)18/h2-8H,9-10H2,1H3,(H,19,21)(H,22,23,24)
InChIKeyYGATXGYZMVUESL-UHFFFAOYSA-N
XLogP3.26
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 95919102) is 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nccnc2NCc2ccccc2F)no1.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YGATXGYZMVUESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-11-8-14(23-25-11)22-15(24)10-26-17-16(19-6-7-20-17)21-9-12-4-2-3-5-13(12)18/h2-8H,9-10H2,1H3,(H,19,21)(H,22,23,24).
What are the key properties of 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methylamino]pyrazin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 95919102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).