N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H24N4O3 — CID 130327567

IUPACN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCc1nnc(C2CC3CCC(C2)C3NC(=O)c2cc(-c3ccccc3)on2)o1
InChIInChI=1S/C22H24N4O3/c1-2-19-24-25-22(28-19)16-10-14-8-9-15(11-16)20(14)23-21(27)17-12-18(29-26-17)13-6-4-3-5-7-13/h3-7,12,14-16,20H,2,8-11H2,1H3,(H,23,27)
InChIKeyGCBAPRASAFXWDZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.99
Rot. Bonds5

About N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 130327567) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID130327567
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCc1nnc(C2CC3CCC(C2)C3NC(=O)c2cc(-c3ccccc3)on2)o1
InChIInChI=1S/C22H24N4O3/c1-2-19-24-25-22(28-19)16-10-14-8-9-15(11-16)20(14)23-21(27)17-12-18(29-26-17)13-6-4-3-5-7-13/h3-7,12,14-16,20H,2,8-11H2,1H3,(H,23,27)
InChIKeyGCBAPRASAFXWDZ-UHFFFAOYSA-N
XLogP3.99
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 144981675
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608795
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-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide
CID 163891805
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-[3-[2-(hydroxymethyl)-1,3-oxazol-5-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327566
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
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-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 118608782
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91842908

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 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) is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide is CCc1nnc(C2CC3CCC(C2)C3NC(=O)c2cc(-c3ccccc3)on2)o1.
What is the InChIKey of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is GCBAPRASAFXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-19-24-25-22(28-19)16-10-14-8-9-15(11-16)20(14)23-21(27)17-12-18(29-26-17)13-6-4-3-5-7-13/h3-7,12,14-16,20H,2,8-11H2,1H3,(H,23,27).
What are the key properties of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130327567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).