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

C15H15FN2O3 — CID 17096079

IUPAC3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C15H15FN2O3/c16-12-6-2-1-5-11(12)13-8-14(21-18-13)15(19)17-9-10-4-3-7-20-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,17,19)
InChIKeyRVXJZUKMGCVBLR-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.39
Rot. Bonds4

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

3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 17096079) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID17096079
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2F)no1
InChIInChI=1S/C15H15FN2O3/c16-12-6-2-1-5-11(12)13-8-14(21-18-13)15(19)17-9-10-4-3-7-20-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,17,19)
InChIKeyRVXJZUKMGCVBLR-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

Analyze 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 17096079) is 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccccc2F)no1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RVXJZUKMGCVBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-6-2-1-5-11(12)13-8-14(21-18-13)15(19)17-9-10-4-3-7-20-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,17,19).
What are the key properties of 3-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-(2-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-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).