N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide

C18H18FN3O2 — CID 126544256

IUPACN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1ccc(C2=NNC(C)O2)cc1F)c1ccccc1
InChIInChI=1S/C18H18FN3O2/c1-12-20-21-18(24-12)14-8-9-15(17(19)10-14)11-22(13(2)23)16-6-4-3-5-7-16/h3-10,12,20H,11H2,1-2H3
InChIKeySRJWHADSNHUQJR-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.01
Rot. Bonds4

About N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide

N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide (PubChem CID 126544256) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide
PubChem CID126544256
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1ccc(C2=NNC(C)O2)cc1F)c1ccccc1
InChIInChI=1S/C18H18FN3O2/c1-12-20-21-18(24-12)14-8-9-15(17(19)10-14)11-22(13(2)23)16-6-4-3-5-7-16/h3-10,12,20H,11H2,1-2H3
InChIKeySRJWHADSNHUQJR-UHFFFAOYSA-N
XLogP3.01
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide (CID 126544256) is N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide.
What is the SMILES notation for N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide is CC(=O)N(Cc1ccc(C2=NNC(C)O2)cc1F)c1ccccc1.
What is the InChIKey of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide?
The InChIKey is SRJWHADSNHUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-20-21-18(24-12)14-8-9-15(17(19)10-14)11-22(13(2)23)16-6-4-3-5-7-16/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide?
N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide has a molecular weight of 327.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)phenyl]methyl]-N-phenylacetamide is sourced from PubChem (CID 126544256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).