N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide

C18H16FN3O2 — CID 97261440

IUPACN-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(-c2nnco2)c1
InChIInChI=1S/C18H16FN3O2/c1-12(15-8-3-4-9-16(15)19)22(2)18(23)14-7-5-6-13(10-14)17-21-20-11-24-17/h3-12H,1-2H3/t12-/m0/s1
InChIKeyCVSDGSNVYJYQPC-LBPRGKRZSA-N
MW325.34 g/mol
LogP3.71
Rot. Bonds4

About N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide

N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 97261440) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID97261440
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(-c2nnco2)c1
InChIInChI=1S/C18H16FN3O2/c1-12(15-8-3-4-9-16(15)19)22(2)18(23)14-7-5-6-13(10-14)17-21-20-11-24-17/h3-12H,1-2H3/t12-/m0/s1
InChIKeyCVSDGSNVYJYQPC-LBPRGKRZSA-N
XLogP3.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide (CID 97261440) is N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide is C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(-c2nnco2)c1.
What is the InChIKey of N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is CVSDGSNVYJYQPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12(15-8-3-4-9-16(15)19)22(2)18(23)14-7-5-6-13(10-14)17-21-20-11-24-17/h3-12H,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 97261440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).