N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide

C18H17FN2O3 — CID 109468332

IUPACN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H17FN2O3/c1-2-21(9-10-22)18(23)13-5-8-16-15(11-13)17(24-20-16)12-3-6-14(19)7-4-12/h3-8,11,22H,2,9-10H2,1H3
InChIKeyWDVCOCLVOUELNT-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.09
Rot. Bonds5

About N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide

N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide (PubChem CID 109468332) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide
PubChem CID109468332
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H17FN2O3/c1-2-21(9-10-22)18(23)13-5-8-16-15(11-13)17(24-20-16)12-3-6-14(19)7-4-12/h3-8,11,22H,2,9-10H2,1H3
InChIKeyWDVCOCLVOUELNT-UHFFFAOYSA-N
XLogP3.09
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide (CID 109468332) is N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide is CCN(CCO)C(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide?
The InChIKey is WDVCOCLVOUELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-2-21(9-10-22)18(23)13-5-8-16-15(11-13)17(24-20-16)12-3-6-14(19)7-4-12/h3-8,11,22H,2,9-10H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide?
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 109468332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).