3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide

C19H17FN2O2 — CID 110671393

IUPAC3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
SMILESCc1nc(-c2ccccc2)c(CCNC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C19H17FN2O2/c1-13-22-18(14-6-3-2-4-7-14)17(24-13)10-11-21-19(23)15-8-5-9-16(20)12-15/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyPQTIHCZQMJWDTM-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.76
Rot. Bonds5

About 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide

3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide (PubChem CID 110671393) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
PubChem CID110671393
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
SMILESCc1nc(-c2ccccc2)c(CCNC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C19H17FN2O2/c1-13-22-18(14-6-3-2-4-7-14)17(24-13)10-11-21-19(23)15-8-5-9-16(20)12-15/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyPQTIHCZQMJWDTM-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
CID 84513228
3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671401
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
2-(2-methoxyphenyl)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671433
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide
CID 110671382
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
2-(4-methylphenoxy)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671413
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide (CID 110671393) is 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide is Cc1nc(-c2ccccc2)c(CCNC(=O)c2cccc(F)c2)o1.
What is the InChIKey of 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
The InChIKey is PQTIHCZQMJWDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-13-22-18(14-6-3-2-4-7-14)17(24-13)10-11-21-19(23)15-8-5-9-16(20)12-15/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide?
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide has a molecular weight of 324.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110671393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).