N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C18H22FN3O3 — CID 110417936

IUPACN-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)NCCCCNC(=O)Cc1nc(-c2cccc(F)c2)oc1C
InChIInChI=1S/C18H22FN3O3/c1-12-16(11-17(24)21-9-4-3-8-20-13(2)23)22-18(25-12)14-6-5-7-15(19)10-14/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKKAXEKZWWFFWOB-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.36
Rot. Bonds8

About N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110417936) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110417936
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)NCCCCNC(=O)Cc1nc(-c2cccc(F)c2)oc1C
InChIInChI=1S/C18H22FN3O3/c1-12-16(11-17(24)21-9-4-3-8-20-13(2)23)22-18(25-12)14-6-5-7-15(19)10-14/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKKAXEKZWWFFWOB-UHFFFAOYSA-N
XLogP2.36
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110627062
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110630679
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627645
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 110620662
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(imidazo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 110609939
N-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856
N-[2-(3-fluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31844590
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110420420
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methoxybutyl)acetamide
CID 110610249

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110417936) is N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is CC(=O)NCCCCNC(=O)Cc1nc(-c2cccc(F)c2)oc1C.
What is the InChIKey of N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is KKAXEKZWWFFWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12-16(11-17(24)21-9-4-3-8-20-13(2)23)22-18(25-12)14-6-5-7-15(19)10-14/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110417936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).