N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide

C23H23FN2O3 — CID 47790086

IUPACN-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C23H23FN2O3/c1-2-26(15-16-8-7-13-28-16)23(27)18-10-4-3-9-17(18)22-25-14-21(29-22)19-11-5-6-12-20(19)24/h3-6,9-12,14,16H,2,7-8,13,15H2,1H3
InChIKeyJOWLCAGNZKBBPL-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.79
Rot. Bonds6

About N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide

N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 47790086) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID47790086
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C23H23FN2O3/c1-2-26(15-16-8-7-13-28-16)23(27)18-10-4-3-9-17(18)22-25-14-21(29-22)19-11-5-6-12-20(19)24/h3-6,9-12,14,16H,2,7-8,13,15H2,1H3
InChIKeyJOWLCAGNZKBBPL-UHFFFAOYSA-N
XLogP4.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
CID 97014554
N-(cyclopropylmethyl)-N-ethyl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 86939454
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774
N-(3-butoxypropyl)-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36807682
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 47790086) is N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JOWLCAGNZKBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-2-26(15-16-8-7-13-28-16)23(27)18-10-4-3-9-17(18)22-25-14-21(29-22)19-11-5-6-12-20(19)24/h3-6,9-12,14,16H,2,7-8,13,15H2,1H3.
What are the key properties of N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 394.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 47790086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).