(2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide

C19H17N5O4S — CID 51583833

IUPAC(2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCn1nc(-c2cccs2)oc1=O)n1ncc2ccccc2c1=O
InChIInChI=1S/C19H17N5O4S/c1-12(24-18(26)14-6-3-2-5-13(14)11-21-24)16(25)20-8-9-23-19(27)28-17(22-23)15-7-4-10-29-15/h2-7,10-12H,8-9H2,1H3,(H,20,25)/t12-/m0/s1
InChIKeyBHENIYAHIJUZPS-LBPRGKRZSA-N
MW411.44 g/mol
LogP1.65
Rot. Bonds6

About (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide

(2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 51583833) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID51583833
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name(2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCn1nc(-c2cccs2)oc1=O)n1ncc2ccccc2c1=O
InChIInChI=1S/C19H17N5O4S/c1-12(24-18(26)14-6-3-2-5-13(14)11-21-24)16(25)20-8-9-23-19(27)28-17(22-23)15-7-4-10-29-15/h2-7,10-12H,8-9H2,1H3,(H,20,25)/t12-/m0/s1
InChIKeyBHENIYAHIJUZPS-LBPRGKRZSA-N
XLogP1.65
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 126470275
2-(2-methylphenyl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 16672334
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639992
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 119033318
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291
N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26466699
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide
CID 119063187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide (CID 51583833) is (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide is C[C@@H](C(=O)NCCn1nc(-c2cccs2)oc1=O)n1ncc2ccccc2c1=O.
What is the InChIKey of (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is BHENIYAHIJUZPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-12(24-18(26)14-6-3-2-5-13(14)11-21-24)16(25)20-8-9-23-19(27)28-17(22-23)15-7-4-10-29-15/h2-7,10-12H,8-9H2,1H3,(H,20,25)/t12-/m0/s1.
What are the key properties of (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide?
(2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 411.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 51583833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).