4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide

C22H18FN3O2 — CID 38886258

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1cccc2ccccc12
InChIInChI=1S/C22H18FN3O2/c23-17-13-11-16(12-14-17)22-25-21(28-26-22)10-4-9-20(27)24-19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-8,11-14H,4,9-10H2,(H,24,27)
InChIKeyCXFPXJSQCIMZJN-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.99
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide (PubChem CID 38886258) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
PubChem CID38886258
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1cccc2ccccc12
InChIInChI=1S/C22H18FN3O2/c23-17-13-11-16(12-14-17)22-25-21(28-26-22)10-4-9-20(27)24-19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-8,11-14H,4,9-10H2,(H,24,27)
InChIKeyCXFPXJSQCIMZJN-UHFFFAOYSA-N
XLogP4.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 46453328
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
CID 55684471
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 17101227
N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55906165
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 110632193
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide (CID 38886258) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide is O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1cccc2ccccc12.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide?
The InChIKey is CXFPXJSQCIMZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-17-13-11-16(12-14-17)22-25-21(28-26-22)10-4-9-20(27)24-19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-8,11-14H,4,9-10H2,(H,24,27).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide has a molecular weight of 375.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 38886258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).