2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C36H39N5O5 — CID 98116057

IUPAC2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(-c2c(-c3ccco3)nn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2CC(=O)N[C@H](C)CCc2ccccc2)on1
InChIInChI=1S/C36H39N5O5/c1-24(16-18-27-11-6-4-7-12-27)37-32(42)22-29-34(31-21-26(3)40-46-31)35(30-15-10-20-45-30)39-41(36(29)44)23-33(43)38-25(2)17-19-28-13-8-5-9-14-28/h4-15,20-21,24-25H,16-19,22-23H2,1-3H3,(H,37,42)(H,38,43)/t24-,25+/m1/s1
InChIKeyQLZRAWAYTQSMSI-RPBOFIJWSA-N
MW621.74 g/mol
LogP5.28
Rot. Bonds14

About 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 98116057) has the molecular formula C36H39N5O5 and a molecular weight of 621.74 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID98116057
Molecular FormulaC36H39N5O5
Molecular Weight621.74 g/mol
Exact Mass621.30
IUPAC Name2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(-c2c(-c3ccco3)nn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2CC(=O)N[C@H](C)CCc2ccccc2)on1
InChIInChI=1S/C36H39N5O5/c1-24(16-18-27-11-6-4-7-12-27)37-32(42)22-29-34(31-21-26(3)40-46-31)35(30-15-10-20-45-30)39-41(36(29)44)23-33(43)38-25(2)17-19-28-13-8-5-9-14-28/h4-15,20-21,24-25H,16-19,22-23H2,1-3H3,(H,37,42)(H,38,43)/t24-,25+/m1/s1
InChIKeyQLZRAWAYTQSMSI-RPBOFIJWSA-N
XLogP5.28
TPSA132.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(furan-2-yl)-3-methyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 46093897
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 22514476
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 16878971
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074941
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92505482
N-(3-ethoxypropyl)-2-[3-(furan-2-yl)-4-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazin-1-yl]acetamide
CID 46950718
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285756
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2399025
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074222
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285692
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20875983

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 98116057) is 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is Cc1cc(-c2c(-c3ccco3)nn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2CC(=O)N[C@H](C)CCc2ccccc2)on1.
What is the InChIKey of 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is QLZRAWAYTQSMSI-RPBOFIJWSA-N. The full InChI is InChI=1S/C36H39N5O5/c1-24(16-18-27-11-6-4-7-12-27)37-32(42)22-29-34(31-21-26(3)40-46-31)35(30-15-10-20-45-30)39-41(36(29)44)23-33(43)38-25(2)17-19-28-13-8-5-9-14-28/h4-15,20-21,24-25H,16-19,22-23H2,1-3H3,(H,37,42)(H,38,43)/t24-,25+/m1/s1.
What are the key properties of 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 621.74 g/mol, XLogP of 5.28, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)-3-oxo-2-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]pyridazin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 98116057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).