N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C14H15FN2O2 — CID 3236125

IUPACN-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O2/c1-2-3-8-16-14(18)12-9-13(19-17-12)10-4-6-11(15)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyFHWLUAALWWOHQO-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.01
Rot. Bonds5

About N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3236125) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID3236125
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O2/c1-2-3-8-16-14(18)12-9-13(19-17-12)10-4-6-11(15)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,18)
InChIKeyFHWLUAALWWOHQO-UHFFFAOYSA-N
XLogP3.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
Bml-281
CID 24951314
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
ethyl (2E,4S)-4-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamido]propanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6476897
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557322
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 3236125) is N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is CCCCNC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FHWLUAALWWOHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-3-8-16-14(18)12-9-13(19-17-12)10-4-6-11(15)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,16,18).
What are the key properties of N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).