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

C14H13FN2O2 — CID 53015631

IUPACN-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)NC1CC1
InChIInChI=1S/C14H13FN2O2/c1-8-12(14(18)16-11-5-6-11)13(17-19-8)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6H2,1H3,(H,16,18)
InChIKeyIDMOYMZUCLFITK-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.68
Rot. Bonds3

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

N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 53015631) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID53015631
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(F)c2)c1C(=O)NC1CC1
InChIInChI=1S/C14H13FN2O2/c1-8-12(14(18)16-11-5-6-11)13(17-19-8)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6H2,1H3,(H,16,18)
InChIKeyIDMOYMZUCLFITK-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 53015631) is N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccc(F)c2)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IDMOYMZUCLFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-12(14(18)16-11-5-6-11)13(17-19-8)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53015631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).