5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole

C15H14FN3O2S — CID 146145324

IUPAC5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(F)CC(c2nc(Cc3coc(-c4cccs4)n3)no2)C1
InChIInChI=1S/C15H14FN3O2S/c1-15(16)6-9(7-15)13-18-12(19-21-13)5-10-8-20-14(17-10)11-3-2-4-22-11/h2-4,8-9H,5-7H2,1H3
InChIKeyWDNAURAZSIMTLE-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.98
Rot. Bonds4

About 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole

5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 146145324) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID146145324
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(F)CC(c2nc(Cc3coc(-c4cccs4)n3)no2)C1
InChIInChI=1S/C15H14FN3O2S/c1-15(16)6-9(7-15)13-18-12(19-21-13)5-10-8-20-14(17-10)11-3-2-4-22-11/h2-4,8-9H,5-7H2,1H3
InChIKeyWDNAURAZSIMTLE-UHFFFAOYSA-N
XLogP3.98
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
CID 166300400
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(3,3-difluorocyclopentyl)-1,2,4-oxadiazole
CID 126806851
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
4-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 66244635
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 86983852
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide
CID 40876316
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole (CID 146145324) is 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole is CC1(F)CC(c2nc(Cc3coc(-c4cccs4)n3)no2)C1.
What is the InChIKey of 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WDNAURAZSIMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-15(16)6-9(7-15)13-18-12(19-21-13)5-10-8-20-14(17-10)11-3-2-4-22-11/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 319.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-3-methylcyclobutyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).