4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide

C21H19N5O3S — CID 11154392

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nsc(-c2ccccc2)n1)N1CCC(n2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C21H19N5O3S/c27-20(23-19-22-18(30-24-19)14-6-2-1-3-7-14)25-12-10-15(11-13-25)26-16-8-4-5-9-17(16)29-21(26)28/h1-9,15H,10-13H2,(H,23,24,27)
InChIKeyVTIVIRBRVDZQJE-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.98
Rot. Bonds3

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide (PubChem CID 11154392) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide
PubChem CID11154392
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nsc(-c2ccccc2)n1)N1CCC(n2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C21H19N5O3S/c27-20(23-19-22-18(30-24-19)14-6-2-1-3-7-14)25-12-10-15(11-13-25)26-16-8-4-5-9-17(16)29-21(26)28/h1-9,15H,10-13H2,(H,23,24,27)
InChIKeyVTIVIRBRVDZQJE-UHFFFAOYSA-N
XLogP3.98
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenyl-4H-azepin-7-yl)piperidine-1-carboxamide
CID 143109718
3-[2-oxo-2-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]benzoic acid
CID 175101505
3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 92581589
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808851
3-[1-[3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoyl]pyrrolidin-3-yl]-1,3-benzoxazol-2-one
CID 167882424
3-[1-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)piperidin-4-yl]-1,3-benzoxazol-2-one
CID 10201008
3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 100724970
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid
CID 123739597
N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide
CID 10184732
3-[1-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 95808233
3-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 86264912

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide (CID 11154392) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide is O=C(Nc1nsc(-c2ccccc2)n1)N1CCC(n2c(=O)oc3ccccc32)CC1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VTIVIRBRVDZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c27-20(23-19-22-18(30-24-19)14-6-2-1-3-7-14)25-12-10-15(11-13-25)26-16-8-4-5-9-17(16)29-21(26)28/h1-9,15H,10-13H2,(H,23,24,27).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-phenyl-1,2,4-thiadiazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11154392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).