2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide

C20H20FN3O2 — CID 70770992

IUPAC2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccccc2-c2ccc(F)cc2)no1
InChIInChI=1S/C20H20FN3O2/c1-13(2)19-22-18(23-26-19)12-24(3)20(25)17-7-5-4-6-16(17)14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyMHSGMTLDXYACOO-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide

2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 70770992) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID70770992
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccccc2-c2ccc(F)cc2)no1
InChIInChI=1S/C20H20FN3O2/c1-13(2)19-22-18(23-26-19)12-24(3)20(25)17-7-5-4-6-16(17)14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyMHSGMTLDXYACOO-UHFFFAOYSA-N
XLogP4.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-1-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 30877177
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 70788852
N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 70772816
N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 72925748
2-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055755
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 72923499
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70787614
N-methyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 72857248
N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 70752631
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
CID 95141288
N-benzyl-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 42571411

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 70770992) is 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide is CC(C)c1nc(CN(C)C(=O)c2ccccc2-c2ccc(F)cc2)no1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is MHSGMTLDXYACOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(2)19-22-18(23-26-19)12-24(3)20(25)17-7-5-4-6-16(17)14-8-10-15(21)11-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 353.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 70770992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).