N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide

C23H20N4O3S — CID 86975262

IUPACN-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCCN1C(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C23H20N4O3S/c28-21(14-16-13-19(30-26-16)15-7-2-1-3-8-15)27-12-6-10-18(27)22(29)25-23-24-17-9-4-5-11-20(17)31-23/h1-5,7-9,11,13,18H,6,10,12,14H2,(H,24,25,29)
InChIKeyXMUPAWSWIDFJKN-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.12
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 86975262) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID86975262
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCCN1C(=O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C23H20N4O3S/c28-21(14-16-13-19(30-26-16)15-7-2-1-3-8-15)27-12-6-10-18(27)22(29)25-23-24-17-9-4-5-11-20(17)31-23/h1-5,7-9,11,13,18H,6,10,12,14H2,(H,24,25,29)
InChIKeyXMUPAWSWIDFJKN-UHFFFAOYSA-N
XLogP4.12
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 86882394
N-(1,3-benzothiazol-2-yl)-1-[3-(2-methylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 86888811
N-(1,3-benzothiazol-2-yl)-1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86982604
N-(1,3-benzothiazol-2-yl)-1-[4-(4-methylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 86945128
N-(1,3-benzothiazol-2-yl)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxamide
CID 87043859
N-(1,3-benzothiazol-2-yl)-1-(4,5-dimethylthiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 86928151
N-(1,3-benzothiazol-2-yl)-1-[4-(3-methylphenoxy)butanoyl]pyrrolidine-2-carboxamide
CID 42950696
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 134235943
N-(1,3-benzothiazol-2-yl)-1-(5-chloro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 86945118
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 134235951
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 86975262) is N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide is O=C(Nc1nc2ccccc2s1)C1CCCN1C(=O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is XMUPAWSWIDFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-21(14-16-13-19(30-26-16)15-7-2-1-3-8-15)27-12-6-10-18(27)22(29)25-23-24-17-9-4-5-11-20(17)31-23/h1-5,7-9,11,13,18H,6,10,12,14H2,(H,24,25,29).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86975262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).