N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H20N4O5S — CID 118608795

IUPACN-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(c2nnc(C3CS(O)(O)C3)o2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H20N4O5S/c24-17(15-8-16(28-23-15)11-4-2-1-3-5-11)20-14-6-12(7-14)18-21-22-19(27-18)13-9-29(25,26)10-13/h1-5,8,12-14,25-26H,6-7,9-10H2,(H,20,24)
InChIKeyOWETYRHNAYSAQA-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.25
Rot. Bonds5

About N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 118608795) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID118608795
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(c2nnc(C3CS(O)(O)C3)o2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H20N4O5S/c24-17(15-8-16(28-23-15)11-4-2-1-3-5-11)20-14-6-12(7-14)18-21-22-19(27-18)13-9-29(25,26)10-13/h1-5,8,12-14,25-26H,6-7,9-10H2,(H,20,24)
InChIKeyOWETYRHNAYSAQA-UHFFFAOYSA-N
XLogP3.25
TPSA134.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 137423307
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 144981675
N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 118608782
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327567
N-[3-[5-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 126677297
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[3-(difluoromethoxy)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470028
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 70787525
N-[3-[2-(hydroxymethyl)-1,3-oxazol-5-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327566
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 118608795) is N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC1CC(c2nnc(C3CS(O)(O)C3)o2)C1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OWETYRHNAYSAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c24-17(15-8-16(28-23-15)11-4-2-1-3-5-11)20-14-6-12(7-14)18-21-22-19(27-18)13-9-29(25,26)10-13/h1-5,8,12-14,25-26H,6-7,9-10H2,(H,20,24).
What are the key properties of N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).