3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

C17H14FN5O3S — CID 42138420

IUPAC3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESCc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)no1
InChIInChI=1S/C17H14FN5O3S/c1-10-7-14(23-26-10)19-15(24)9-27-16-6-5-13(21-22-16)20-17(25)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3,(H,19,23,24)(H,20,21,25)
InChIKeyUHFPLVVHPZVNSO-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.90
Rot. Bonds6

About 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (PubChem CID 42138420) has the molecular formula C17H14FN5O3S and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
PubChem CID42138420
Molecular FormulaC17H14FN5O3S
Molecular Weight387.40 g/mol
Exact Mass387.08
IUPAC Name3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESCc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)no1
InChIInChI=1S/C17H14FN5O3S/c1-10-7-14(23-26-10)19-15(24)9-27-16-6-5-13(21-22-16)20-17(25)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3,(H,19,23,24)(H,20,21,25)
InChIKeyUHFPLVVHPZVNSO-UHFFFAOYSA-N
XLogP2.90
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (CID 42138420) is 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is Cc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)no1.
What is the InChIKey of 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The InChIKey is UHFPLVVHPZVNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O3S/c1-10-7-14(23-26-10)19-15(24)9-27-16-6-5-13(21-22-16)20-17(25)11-3-2-4-12(18)8-11/h2-8H,9H2,1H3,(H,19,23,24)(H,20,21,25).
What are the key properties of 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide has a molecular weight of 387.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is sourced from PubChem (CID 42138420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).