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

C14H15FN2O3 — CID 109468168

IUPACN-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O3/c1-2-17(7-8-18)14(19)12-9-13(20-16-12)10-3-5-11(15)6-4-10/h3-6,9,18H,2,7-8H2,1H3
InChIKeyJKTCQTCJOXQMGD-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.94
Rot. Bonds5

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

N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide (PubChem CID 109468168) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
PubChem CID109468168
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O3/c1-2-17(7-8-18)14(19)12-9-13(20-16-12)10-3-5-11(15)6-4-10/h3-6,9,18H,2,7-8H2,1H3
InChIKeyJKTCQTCJOXQMGD-UHFFFAOYSA-N
XLogP1.94
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide
CID 109468332
5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 99842444
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 19456504
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 46968640
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19294420
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 110000783
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
CID 127025539
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide (CID 109468168) is N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide is CCN(CCO)C(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JKTCQTCJOXQMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-17(7-8-18)14(19)12-9-13(20-16-12)10-3-5-11(15)6-4-10/h3-6,9,18H,2,7-8H2,1H3.
What are the key properties of N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide?
N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 109468168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).