N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H19N5O4 — CID 46961289

IUPACN-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC[C@@H](Cn1c(=O)oc2cccnc21)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N5O4/c1-2-12(11-25-18-16(29-20(25)28)8-5-9-21-18)22-17(26)10-15-13-6-3-4-7-14(13)19(27)24-23-15/h3-9,12H,2,10-11H2,1H3,(H,22,26)(H,24,27)/t12-/m0/s1
InChIKeySZYZWNBKHSYYEF-LBPRGKRZSA-N
MW393.40 g/mol
LogP1.36
Rot. Bonds6

About N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 46961289) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID46961289
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC NameN-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC[C@@H](Cn1c(=O)oc2cccnc21)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H19N5O4/c1-2-12(11-25-18-16(29-20(25)28)8-5-9-21-18)22-17(26)10-15-13-6-3-4-7-14(13)19(27)24-23-15/h3-9,12H,2,10-11H2,1H3,(H,22,26)(H,24,27)/t12-/m0/s1
InChIKeySZYZWNBKHSYYEF-LBPRGKRZSA-N
XLogP1.36
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-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

2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 46966888
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide
CID 16671484
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide
CID 110244689
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
3-[3-methoxy-2-(propylamino)propyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 107506306

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 46961289) is N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CC[C@@H](Cn1c(=O)oc2cccnc21)NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is SZYZWNBKHSYYEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-2-12(11-25-18-16(29-20(25)28)8-5-9-21-18)22-17(26)10-15-13-6-3-4-7-14(13)19(27)24-23-15/h3-9,12H,2,10-11H2,1H3,(H,22,26)(H,24,27)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 393.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 46961289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).