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

C19H18N4O5S — CID 137423307

IUPACN-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(c2nnc(C3C(O)SC3O)o2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H18N4O5S/c24-15(12-8-13(28-23-12)9-4-2-1-3-5-9)20-11-6-10(7-11)16-21-22-17(27-16)14-18(25)29-19(14)26/h1-5,8,10-11,14,18-19,25-26H,6-7H2,(H,20,24)
InChIKeyMXIHYSDCECEUSG-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.87
Rot. Bonds5

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

N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 137423307) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID137423307
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(c2nnc(C3C(O)SC3O)o2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H18N4O5S/c24-15(12-8-13(28-23-12)9-4-2-1-3-5-9)20-11-6-10(7-11)16-21-22-17(27-16)14-18(25)29-19(14)26/h1-5,8,10-11,14,18-19,25-26H,6-7H2,(H,20,24)
InChIKeyMXIHYSDCECEUSG-UHFFFAOYSA-N
XLogP1.87
TPSA134.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
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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-[(1S)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 126677297
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-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[3-[2-(hydroxymethyl)-1,3-oxazol-5-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327566
N-[3-(difluoromethoxy)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470028
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 137423307) is N-[3-[5-(2,4-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-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC1CC(c2nnc(C3C(O)SC3O)o2)C1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MXIHYSDCECEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c24-15(12-8-13(28-23-12)9-4-2-1-3-5-9)20-11-6-10(7-11)16-21-22-17(27-16)14-18(25)29-19(14)26/h1-5,8,10-11,14,18-19,25-26H,6-7H2,(H,20,24).
What are the key properties of N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 137423307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).