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

C15H13N5O4S — CID 42139352

IUPACN-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)no1
InChIInChI=1S/C15H13N5O4S/c1-9-7-12(20-24-9)16-13(21)8-25-14-5-4-11(18-19-14)17-15(22)10-3-2-6-23-10/h2-7H,8H2,1H3,(H,16,20,21)(H,17,18,22)
InChIKeyZHWMRKYYPGNRCC-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.35
Rot. Bonds6

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

N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (PubChem CID 42139352) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
PubChem CID42139352
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC NameN-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)no1
InChIInChI=1S/C15H13N5O4S/c1-9-7-12(20-24-9)16-13(21)8-25-14-5-4-11(18-19-14)17-15(22)10-3-2-6-23-10/h2-7H,8H2,1H3,(H,16,20,21)(H,17,18,22)
InChIKeyZHWMRKYYPGNRCC-UHFFFAOYSA-N
XLogP2.35
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (CID 42139352) is N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)CSc2ccc(NC(=O)c3ccco3)nn2)no1.
What is the InChIKey of N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The InChIKey is ZHWMRKYYPGNRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c1-9-7-12(20-24-9)16-13(21)8-25-14-5-4-11(18-19-14)17-15(22)10-3-2-6-23-10/h2-7H,8H2,1H3,(H,16,20,21)(H,17,18,22).
What are the key properties of N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42139352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).