N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide

C18H23FN4O3 — CID 167870296

IUPACN-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide
SMILESCC(=O)NC(C)(C)c1noc(C(NC(=O)c2ccc(F)cc2)C(C)C)n1
InChIInChI=1S/C18H23FN4O3/c1-10(2)14(20-15(25)12-6-8-13(19)9-7-12)16-21-17(23-26-16)18(4,5)22-11(3)24/h6-10,14H,1-5H3,(H,20,25)(H,22,24)
InChIKeyPFJZPCNQCGWDQG-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.71
Rot. Bonds6

About N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide

N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide (PubChem CID 167870296) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide
PubChem CID167870296
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC NameN-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide
SMILESCC(=O)NC(C)(C)c1noc(C(NC(=O)c2ccc(F)cc2)C(C)C)n1
InChIInChI=1S/C18H23FN4O3/c1-10(2)14(20-15(25)12-6-8-13(19)9-7-12)16-21-17(23-26-16)18(4,5)22-11(3)24/h6-10,14H,1-5H3,(H,20,25)(H,22,24)
InChIKeyPFJZPCNQCGWDQG-UHFFFAOYSA-N
XLogP2.71
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 126830612
3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 64770540
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
CID 51133659
4-tert-butyl-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384522
4-tert-butyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]benzamide
CID 95384523
N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71931336
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide (CID 167870296) is N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide is CC(=O)NC(C)(C)c1noc(C(NC(=O)c2ccc(F)cc2)C(C)C)n1.
What is the InChIKey of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide?
The InChIKey is PFJZPCNQCGWDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-10(2)14(20-15(25)12-6-8-13(19)9-7-12)16-21-17(23-26-16)18(4,5)22-11(3)24/h6-10,14H,1-5H3,(H,20,25)(H,22,24).
What are the key properties of N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide?
N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide has a molecular weight of 362.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-acetamidopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-fluorobenzamide is sourced from PubChem (CID 167870296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).