5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide

C14H16FN3O2 — CID 110392671

IUPAC5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CCNC(=O)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FN3O2/c1-9(2)7-8-16-12(19)14-18-17-13(20-14)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyWRXZDANAPFVFKD-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.65
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide

5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392671) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392671
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CCNC(=O)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FN3O2/c1-9(2)7-8-16-12(19)14-18-17-13(20-14)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyWRXZDANAPFVFKD-UHFFFAOYSA-N
XLogP2.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131877
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392716
N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide
CID 22432108
2-ethyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 110319098
N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 67703736
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2701885
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392708
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392696

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392671) is 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide is CC(C)CCNC(=O)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WRXZDANAPFVFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9(2)7-8-16-12(19)14-18-17-13(20-14)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).