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

C26H22FN3O2 — CID 38092404

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(F)cc4)C4CC4)cc3)o2)c1
InChIInChI=1S/C26H22FN3O2/c1-17-3-2-4-21(15-17)25-29-28-24(32-25)19-7-9-20(10-8-19)26(31)30(23-13-14-23)16-18-5-11-22(27)12-6-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyQJNQVEIRZZZBQK-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.66
Rot. Bonds6

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

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 38092404) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID38092404
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(F)cc4)C4CC4)cc3)o2)c1
InChIInChI=1S/C26H22FN3O2/c1-17-3-2-4-21(15-17)25-29-28-24(32-25)19-7-9-20(10-8-19)26(31)30(23-13-14-23)16-18-5-11-22(27)12-6-18/h2-12,15,23H,13-14,16H2,1H3
InChIKeyQJNQVEIRZZZBQK-UHFFFAOYSA-N
XLogP5.66
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 38092404) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(F)cc4)C4CC4)cc3)o2)c1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is QJNQVEIRZZZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-17-3-2-4-21(15-17)25-29-28-24(32-25)19-7-9-20(10-8-19)26(31)30(23-13-14-23)16-18-5-11-22(27)12-6-18/h2-12,15,23H,13-14,16H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 427.48 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 38092404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).