3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

C20H19FN4O2 — CID 10428970

IUPAC3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CN)o2)cc1
InChIInChI=1S/C20H19FN4O2/c1-11-16(8-14(9-17(11)21)19(26)23-15-6-7-15)12-2-4-13(5-3-12)20-25-24-18(10-22)27-20/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,23,26)
InChIKeyOSITVSIIJTXZAS-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.20
Rot. Bonds5

About 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 10428970) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID10428970
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CN)o2)cc1
InChIInChI=1S/C20H19FN4O2/c1-11-16(8-14(9-17(11)21)19(26)23-15-6-7-15)12-2-4-13(5-3-12)20-25-24-18(10-22)27-20/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,23,26)
InChIKeyOSITVSIIJTXZAS-UHFFFAOYSA-N
XLogP3.20
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 10428970) is 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(-c2nnc(CN)o2)cc1.
What is the InChIKey of 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is OSITVSIIJTXZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-11-16(8-14(9-17(11)21)19(26)23-15-6-7-15)12-2-4-13(5-3-12)20-25-24-18(10-22)27-20/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,23,26).
What are the key properties of 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 366.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 10428970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).