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

C14H15FN2O2 — CID 6624141

IUPAC3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN2O2/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyTUVVKABJPRPKQO-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.87
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 6624141) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID6624141
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN2O2/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyTUVVKABJPRPKQO-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

T56-LIMKi
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2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
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CID 2815027
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
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CID 15992620

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 6624141) is 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is TUVVKABJPRPKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(2)8-16-14(18)13-7-12(17-19-13)10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6624141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).