4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide

C18H24FN3O2 — CID 110307382

IUPAC4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide
SMILESCc1nnc(C(CC(C)C)NC(=O)CCCc2ccc(F)cc2)o1
InChIInChI=1S/C18H24FN3O2/c1-12(2)11-16(18-22-21-13(3)24-18)20-17(23)6-4-5-14-7-9-15(19)10-8-14/h7-10,12,16H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyVWKSYOPRYRRUDM-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.74
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide

4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide (PubChem CID 110307382) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide
PubChem CID110307382
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide
SMILESCc1nnc(C(CC(C)C)NC(=O)CCCc2ccc(F)cc2)o1
InChIInChI=1S/C18H24FN3O2/c1-12(2)11-16(18-22-21-13(3)24-18)20-17(23)6-4-5-14-7-9-15(19)10-8-14/h7-10,12,16H,4-6,11H2,1-3H3,(H,20,23)
InChIKeyVWKSYOPRYRRUDM-UHFFFAOYSA-N
XLogP3.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
CID 118778152
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
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2-[3-(4-fluorophenyl)propanoylamino]-4-methylpentanoic acid
CID 43092855
3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020847
3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 110288314
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627377
3-bromo-4-chloro-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 110627464
2-[4-(4-fluorophenyl)butanoylamino]butanedioic acid
CID 82224351
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide (CID 110307382) is 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide is Cc1nnc(C(CC(C)C)NC(=O)CCCc2ccc(F)cc2)o1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide?
The InChIKey is VWKSYOPRYRRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12(2)11-16(18-22-21-13(3)24-18)20-17(23)6-4-5-14-7-9-15(19)10-8-14/h7-10,12,16H,4-6,11H2,1-3H3,(H,20,23).
What are the key properties of 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide?
4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide has a molecular weight of 333.41 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]butanamide is sourced from PubChem (CID 110307382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).