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

C15H15FN2O3 — CID 17096043

IUPAC3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O3/c16-11-5-3-10(4-6-11)13-8-14(21-18-13)15(19)17-9-12-2-1-7-20-12/h3-6,8,12H,1-2,7,9H2,(H,17,19)
InChIKeyRKEUOVRLWNZDAG-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.39
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 17096043) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID17096043
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O3/c16-11-5-3-10(4-6-11)13-8-14(21-18-13)15(19)17-9-12-2-1-7-20-12/h3-6,8,12H,1-2,7,9H2,(H,17,19)
InChIKeyRKEUOVRLWNZDAG-UHFFFAOYSA-N
XLogP2.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 17096043) is 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RKEUOVRLWNZDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-11-5-3-10(4-6-11)13-8-14(21-18-13)15(19)17-9-12-2-1-7-20-12/h3-6,8,12H,1-2,7,9H2,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).