N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

C14H14FN3O3 — CID 24981794

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C14H14FN3O3/c1-9-6-12(17-21-9)14(20)18(2)8-13(19)16-11-5-3-4-10(15)7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyHLXNCBMOOJOMMY-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.83
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 24981794) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID24981794
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C14H14FN3O3/c1-9-6-12(17-21-9)14(20)18(2)8-13(19)16-11-5-3-4-10(15)7-11/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyHLXNCBMOOJOMMY-UHFFFAOYSA-N
XLogP1.83
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 24981794) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)no1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is HLXNCBMOOJOMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-9-6-12(17-21-9)14(20)18(2)8-13(19)16-11-5-3-4-10(15)7-11/h3-7H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24981794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).