N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C11H10FN3O2 — CID 110691864

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c1-7-10(15-17-14-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyKGSPCTYYYCQSPT-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.45
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 110691864) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID110691864
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2/c1-7-10(15-17-14-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16)
InChIKeyKGSPCTYYYCQSPT-UHFFFAOYSA-N
XLogP1.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 110691864) is N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is KGSPCTYYYCQSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-10(15-17-14-7)11(16)13-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 110691864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).