4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide

C22H25FN4O2 — CID 87028346

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)N(Cc2ccccn2)c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN4O2/c1-22(2,3)21-25-19(29-26-21)8-6-9-20(28)27(15-17-7-4-5-14-24-17)18-12-10-16(23)11-13-18/h4-5,7,10-14H,6,8-9,15H2,1-3H3
InChIKeyFXCWTDSHYYDWFQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.46
Rot. Bonds7

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 87028346) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID87028346
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(C)(C)c1noc(CCCC(=O)N(Cc2ccccn2)c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN4O2/c1-22(2,3)21-25-19(29-26-21)8-6-9-20(28)27(15-17-7-4-5-14-24-17)18-12-10-16(23)11-13-18/h4-5,7,10-14H,6,8-9,15H2,1-3H3
InChIKeyFXCWTDSHYYDWFQ-UHFFFAOYSA-N
XLogP4.46
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 55888962
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 55897724
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 55668989
methyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-[(3-fluorophenyl)methyl]amino]acetate
CID 47072634
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
CID 87020082
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 56814365
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86982425
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
CID 119206094
3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 39372159
N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 51121562

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide (CID 87028346) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide is CC(C)(C)c1noc(CCCC(=O)N(Cc2ccccn2)c2ccc(F)cc2)n1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is FXCWTDSHYYDWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-22(2,3)21-25-19(29-26-21)8-6-9-20(28)27(15-17-7-4-5-14-24-17)18-12-10-16(23)11-13-18/h4-5,7,10-14H,6,8-9,15H2,1-3H3.
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 396.47 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 87028346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).